Geometry & MOs

Info

ID:	241888
PubChem CID:	96024505
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	280.193949
ΔH_f, kcal/mol:	11.15
Dipole, Da:	3.44
IP(EA), eV:	-8.9(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC=CC(=C3)CCl

DOS

IR

Vibrations