Geometry & MOs

Info

ID:	241812
PubChem CID:	96024330
Reduced:	N3C16H19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	272.108026
ΔH_f, kcal/mol:	39.29
Dipole, Da:	2.37
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(6-chloropyridin-2-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=NC=C(N=C3)C

DOS

IR

Vibrations