Geometry & MOs

Info

ID:	397238
PubChem CID:	135029937
Reduced:	N4O5H6C9 (1)
Stoich.:	A4B5C6D9 (1)
Weight, g/mol:	448.184566
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	3.03
IP(EA), eV:	-10.2(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[amino-[4-(1-amino-3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)phenyl]methylidene]propanedioate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])NC(=NC2=O)C[N+](=O)[O-]

DOS

IR

Vibrations