Geometry & MOs

Info

ID:	241950
PubChem CID:	96024766
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	-21.11
Dipole, Da:	2.24
IP(EA), eV:	-8.75(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CC3=CC=C(C=C3)O)C=C1)C

DOS

IR

Vibrations