Geometry & MOs

Info

ID:	50404
PubChem CID:	12012935
Reduced:	N6O7H10C12 (1)
Stoich.:	A6B7C10D12 (1)
Weight, g/mol:	440.092791
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	3.42
IP(EA), eV:	-10.27(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-[(3,5-dinitrophenyl)hydrazinylidene]-3-(ethoxycarbonylamino)-3-oxopropanoyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC(=O)/C(=N/NC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])/C#N

DOS

IR

Vibrations