Geometry & MOs

Info

ID:	59338
PubChem CID:	24813759
Reduced:	N3O4H35C39 (1)
Stoich.:	A3B4C35D39 (1)
Weight, g/mol:	424.287849
ΔH_f, kcal/mol:	-17.55
Dipole, Da:	3.3
IP(EA), eV:	-7.91(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-cyclohexyl-1-[(3S)-3-cyclohexyl-3,4-dihydroisoquinolin-1-yl]-3,4-dihydroisoquinoline

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1=C2C3C4=CC=CC=C4C(C2=C(C=C1)OC(=O)C5=NC=NC=C5)(C6=CC=CC=C36)CC7=CC=C(C=C7)N(C)C

DOS

IR

Vibrations