Geometry & MOs

Info

ID:	264579
PubChem CID:	103471876
Reduced:	O3N4C12H12 (1)
Stoich.:	A3B4C12D12 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	14.22
Dipole, Da:	7.06
IP(EA), eV:	-9.76(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(5-cyano-3-nitropyridin-2-yl)amino]acetamide

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)NC3=C(C=C(C=N3)C#N)[N+](=O)[O-]

DOS

IR

Vibrations