Geometry & MOs

Info

ID:	248173
PubChem CID:	103079435
Reduced:	O2N5C11H17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	46.37
Dipole, Da:	9.42
IP(EA), eV:	-9.1(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations