Geometry & MOs

Info

ID:	242070
PubChem CID:	96025357
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	265.18305
ΔH_f, kcal/mol:	-22.37
Dipole, Da:	3.38
IP(EA), eV:	-8.96(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,4-dimethylphenyl)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)C3=C(C(=CC=C3)Cl)O

DOS

IR

Vibrations