Geometry & MOs

Info

ID:	248172
PubChem CID:	103079432
Reduced:	O2N5C9H13 (1)
Stoich.:	A2B5C9D13 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	58.84
Dipole, Da:	9.69
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methyl-4-nitropyrazol-3-yl)-(2-methylpropyl)amino]propanenitrile

Drug info:

PubChemData

Smile

CCN(CCC#N)C1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations