Geometry & MOs

Info

ID:	398467
PubChem CID:	135033410
Reduced:	N2O6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	325.091
ΔH_f, kcal/mol:	-220.74
Dipole, Da:	5.35
IP(EA), eV:	-9.49(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(ethoxycarbonylamino)-N-(4-nitrobenzoyl)carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NN(C(=O)C1=CC=C(C=C1)O)C(=O)OCC

DOS

IR

Vibrations