Geometry & MOs

Info

ID:	275698
PubChem CID:	103817155
Reduced:	ClN4O4C12H15 (1)
Stoich.:	AB4C4D12E15 (1)
Weight, g/mol:	314.078183
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	5.46
IP(EA), eV:	-10.22(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC(=O)N)C(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations