Geometry & MOs

Info

ID:	241906
PubChem CID:	96024560
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-26.63
Dipole, Da:	3.61
IP(EA), eV:	-8.67(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methylphenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations