Geometry & MOs

Info

ID:	242066
PubChem CID:	96025334
Reduced:	FNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-27.87
Dipole, Da:	3.57
IP(EA), eV:	-9.0(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CC1=C2CCN[C@@H](C2=C(C=C1)C)CC3=CC(=CC=C3)F

DOS

IR

Vibrations