Geometry & MOs

Info

ID:	275697
PubChem CID:	103817154
Reduced:	Cl2N3O3H9C13 (1)
Stoich.:	A2B3C3D9E13 (1)
Weight, g/mol:	314.078183
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	2.21
IP(EA), eV:	-8.66(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-butyl-2-chloro-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)C3=CN=C(C=N3)Cl

DOS

IR

Vibrations