Geometry & MOs

Info

ID:	350671
PubChem CID:	127278959
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-84.9
Dipole, Da:	5.27
IP(EA), eV:	-9.0(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)CCC3=CSC=N3

DOS

IR

Vibrations