Geometry & MOs

Info

ID:	248260
PubChem CID:	103080101
Reduced:	ON2C4H6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	42.77
Dipole, Da:	6.26
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methylbutan-2-yl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations