Geometry & MOs

Info

ID:	14761
PubChem CID:	419735
Reduced:	N5O6C11H15 (1)
Stoich.:	A5B6C11D15 (1)
Weight, g/mol:	313.102233
ΔH_f, kcal/mol:	-176.61
Dipole, Da:	4.49
IP(EA), eV:	-9.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-amino-6-(ethoxycarbonylamino)-3-nitropyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=NC(=C(C(=C1)N)[N+](=O)[O-])NC(=O)OCC

DOS

IR

Vibrations