Geometry & MOs

Info

ID:	241990
PubChem CID:	96024966
Reduced:	ClNC19H22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	299.144077
ΔH_f, kcal/mol:	9.02
Dipole, Da:	0.64
IP(EA), eV:	-8.81(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(4-chlorophenyl)ethyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CCC3=CC=C(C=C3)Cl)C=C1)C

DOS

IR

Vibrations