Geometry & MOs

Info

ID:	241957
PubChem CID:	96024792
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	299.144077
ΔH_f, kcal/mol:	8.78
Dipole, Da:	2.04
IP(EA), eV:	-8.79(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-chlorophenyl)ethyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations