Geometry & MOs

Info

ID:	216696
PubChem CID:	85086627
Reduced:	INO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	291.100777
ΔH_f, kcal/mol:	-1.67
Dipole, Da:	4.66
IP(EA), eV:	-10.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-(3-oxoquinoxalin-2-ylidene)acetamide

Drug info:

PubChemData

Smile

C1C2CC3C1CC(C3C2I)[N+](=O)[O-]

DOS

IR

Vibrations