Geometry & MOs

Info

ID:	367827
PubChem CID:	127325935
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	9.19
IP(EA), eV:	-8.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CSCC(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations