Geometry & MOs

Info

ID:	241620
PubChem CID:	96023845
Reduced:	FNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-27.98
Dipole, Da:	2.15
IP(EA), eV:	-8.8(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-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=C3F

DOS

IR

Vibrations