Geometry & MOs

Info

ID:	241852
PubChem CID:	96024399
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	7.47
Dipole, Da:	4.11
IP(EA), eV:	-8.92(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-chloro-2-methylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations