Geometry & MOs

Info

ID:	248249
PubChem CID:	103080013
Reduced:	ON2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	6.48
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylheptyl)-1-methyl-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations