Geometry & MOs

Info

ID:	161786
PubChem CID:	57392662
Reduced:	ClN2C34H45 (1)
Stoich.:	AB2C34D45 (1)
Weight, g/mol:	480.350449
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	4.67
IP(EA), eV:	-8.52(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[[4-[(2-methyl-8-propan-2-yl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]methyl]-8-propan-2-yl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C1=CC=CC2=C1C(N(CC2)C)CC3=CC=C(C=C3)CC4C5=C(CCN4C)C=CC=C5C(C)C.Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C1=CC=CC2=C1C(N(CC2)C)CC3=CC=C(C=C3)CC4C5=C(CCN4C)C=CC=C5C(C)C.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):