Geometry & MOs

Info

ID:	241622
PubChem CID:	96023849
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-24.61
Dipole, Da:	1.77
IP(EA), eV:	-8.65(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CC3=CC=CC=C3O

DOS

IR

Vibrations