Geometry & MOs

Info

ID:	241630
PubChem CID:	96023876
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	-21.8
Dipole, Da:	4.52
IP(EA), eV:	-8.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations