Geometry & MOs

Info

ID:	184132
PubChem CID:	77115348
Reduced:	OSN5H7C9 (1)
Stoich.:	ABC5D7E9 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	111.95
Dipole, Da:	5.16
IP(EA), eV:	-8.83(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(3-oxo-2H-quinoxalin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=CSC(=C3C=NC=N3)N2

DOS

IR

Vibrations