Geometry & MOs

Info

ID:	241833
PubChem CID:	96024365
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	1.71
IP(EA), eV:	-8.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations