Geometry & MOs

Info

ID:	241956
PubChem CID:	96024791
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	18.29
Dipole, Da:	2.86
IP(EA), eV:	-8.71(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2-chlorophenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CC3=CC=CC=C3Cl)C=C1)C

DOS

IR

Vibrations