Geometry & MOs

Info

ID:	367845
PubChem CID:	127325953
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	21.97
Dipole, Da:	6.96
IP(EA), eV:	-8.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NN=C4

DOS

IR

Vibrations