Geometry & MOs

Info

ID:	241989
PubChem CID:	96024965
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	299.144077
ΔH_f, kcal/mol:	-62.41
Dipole, Da:	4.48
IP(EA), eV:	-8.94(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@H]3CC(=O)N(C3)C(C)C

DOS

IR

Vibrations