Geometry & MOs

Info

ID:	241629
PubChem CID:	96023875
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	-22.29
Dipole, Da:	2.82
IP(EA), eV:	-8.97(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[(1S)-7,8-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