Geometry & MOs

Info

ID:	253337
PubChem CID:	103117815
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	22.63
Dipole, Da:	3.22
IP(EA), eV:	-8.97(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C#N)N1CCN(CC1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations