Geometry & MOs

Info

ID:	241887
PubChem CID:	96024504
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	17.67
Dipole, Da:	2.72
IP(EA), eV:	-8.88(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-(chloromethyl)phenyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CC=CC(=C3)CCl)C=C1)C

DOS

IR

Vibrations