Geometry & MOs

Info

ID:	253336
PubChem CID:	103117814
Reduced:	NOC3H5 (4)
Stoich.:	ABC3D5 (4)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	-151.0
Dipole, Da:	6.16
IP(EA), eV:	-10.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1=C(N=NN1C)C(=O)OC

DOS

IR

Vibrations