Geometry & MOs

Info

ID:	367666
PubChem CID:	127325195
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	4.16
IP(EA), eV:	-8.78(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)N3CCC(CC3)N4CCCCC4

DOS

IR

Vibrations