Geometry & MOs

Info

ID:	241932
PubChem CID:	96024680
Reduced:	FN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-7.91
Dipole, Da:	4.0
IP(EA), eV:	-8.92(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations