Geometry & MOs

Info

ID:	367832
PubChem CID:	127325940
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-136.94
Dipole, Da:	4.29
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CN3C=CC(=O)NC3=O

DOS

IR

Vibrations