Geometry & MOs

Info

ID:	248252
PubChem CID:	103080035
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	255.133139
ΔH_f, kcal/mol:	22.77
Dipole, Da:	6.07
IP(EA), eV:	-8.69(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CCN3CCCC3C2)[N+](=O)[O-]

DOS

IR

Vibrations