Geometry & MOs

Info

ID:	241614
PubChem CID:	96023834
Reduced:	FNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-29.58
Dipole, Da:	1.26
IP(EA), eV:	-8.8(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CC3=CC(=CC=C3)F

DOS

IR

Vibrations