Geometry & MOs

Info

ID:	367847
PubChem CID:	127325955
Reduced:	SO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-82.01
Dipole, Da:	3.03
IP(EA), eV:	-8.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methylcyclohexyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C(C)NC(=O)C3=CC=CS3

DOS

IR

Vibrations