Geometry & MOs

Info

ID:	242069
PubChem CID:	96025350
Reduced:	NC19H23 (1)
Stoich.:	AB19C23 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	14.03
Dipole, Da:	1.39
IP(EA), eV:	-8.76(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[(1R)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@@H]2C3=C(C=CC(=C3CCN2)C)C

DOS

IR

Vibrations