Geometry & MOs

Info

ID:	34182
PubChem CID:	7890219
Reduced:	NO3H6C8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	310.12772
ΔH_f, kcal/mol:	-108.15
Dipole, Da:	3.98
IP(EA), eV:	-9.54(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutylcarbamoyl)-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C=C(C=CC3=O)[N+](=O)[O-]

DOS

IR

Vibrations