Geometry & MOs

Info

ID:	241877
PubChem CID:	96024475
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-8.73
Dipole, Da:	7.22
IP(EA), eV:	-9.11(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC(=O)C=CN3)C=C1)C

DOS

IR

Vibrations