Geometry & MOs

Info

ID:	252472
PubChem CID:	103111647
Reduced:	OSN4C9H16 (1)
Stoich.:	ABC4D9E16 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	2.37
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyanocinnolin-4-yl)amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NN=C(S1)C

DOS

IR

Vibrations