Geometry & MOs

Info

ID:	278808
PubChem CID:	103838440
Reduced:	NC12H25 (1)
Stoich.:	AB12C25 (1)
Weight, g/mol:	302.041797
ΔH_f, kcal/mol:	-25.2
Dipole, Da:	1.58
IP(EA), eV:	-8.69(2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-3-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1CC1NCC(CC)CC

DOS

IR

Vibrations