Geometry & MOs

Info

ID:	50406
PubChem CID:	12012937
Reduced:	H2N3O3C5 (2)
Stoich.:	A2B3C3D5 (2)
Weight, g/mol:	278.039967
ΔH_f, kcal/mol:	22.5
Dipole, Da:	2.72
IP(EA), eV:	-10.99(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-2-amino-N-(3,5-dinitroanilino)-2-oxoethanimidoyl cyanide

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C(=O)NC(=O)C(=N2)C#N

DOS

IR

Vibrations