Geometry & MOs

Info

ID:	347147
PubChem CID:	127271651
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	3.97
IP(EA), eV:	-8.13(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[4-(3-cyclohexyl-1-methylpyrazole-4-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations