Geometry & MOs

Info

ID:	241876
PubChem CID:	96024471
Reduced:	ClN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	28.98
Dipole, Da:	1.58
IP(EA), eV:	-8.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=NC=CC(=C3)Cl)C=C1)C

DOS

IR

Vibrations