Geometry & MOs

Info

ID:

161785

PubChem CID:

57392658

Reduced:

NO3C28H29 (1)

Stoich.:

AB3C28D29 (1)

Weight, g/mol:

516.327127

ΔHf, kcal/mol:

-76.18

Dipole, Da:

3.67

IP(EA), eV:

 -9.18(-0.34)

Spin(Sz, 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;hydrochloride

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCC2=CC=CC=C2)COC(=O)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations