Geometry & MOs

Info

ID:	248174
PubChem CID:	103079441
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	67.75
Dipole, Da:	9.62
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-methyl-4-nitropyrazol-3-yl)piperazin-1-yl]butanenitrile

Drug info:

PubChemData

Smile

CC(C#N)N1CCN(CC1)C2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations