Geometry & MOs

Info

ID:	241878
PubChem CID:	96024477
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	272.108026
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	10.34
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC(=O)C=CN3

DOS

IR

Vibrations