Geometry & MOs

Info

ID:	248216
PubChem CID:	103079764
Reduced:	O3N5C11H17 (1)
Stoich.:	A3B5C11D17 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-32.34
Dipole, Da:	9.96
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(4-methylpentyl)-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2CCC(CC2)C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations