Geometry & MOs

Info

ID:	437077
PubChem CID:	135214586
Reduced:	ClNOC22H26 (1)
Stoich.:	ABCD22E26 (1)
Weight, g/mol:	354.303499
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	3.91
IP(EA), eV:	-8.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-1-propan-2-yl-3,4-dihydro-2H-quinoline

Drug info:

PubChemData

Smile

CC(CCN1CCC2=CC=CC=C2C1)CC3=C(C=CC(=C3)Cl)C(=O)C

DOS

IR

Vibrations