Geometry & MOs

Info

ID:	241914
PubChem CID:	96024608
Reduced:	ClN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	29.62
Dipole, Da:	1.91
IP(EA), eV:	-8.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=C(C=CC=N3)Cl

DOS

IR

Vibrations