Geometry & MOs

Info

ID:	18391
PubChem CID:	540169
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	6.71
IP(EA), eV:	-9.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7,7-dimethyl-3-oxo-6,8-dihydro-2H-cinnolin-5-ylidene)amino]acetamide

Drug info:

PubChemData

Smile

CC(=O)NN=C1CC(CC2=NNC(=O)C=C21)(C)C

DOS

IR

Vibrations