Geometry & MOs

Info

ID:	367540
PubChem CID:	127324908
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	365.224932
ΔH_f, kcal/mol:	-114.3
Dipole, Da:	5.9
IP(EA), eV:	-8.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=CC(=C3)CN4C(=O)CNC4=O

DOS

IR

Vibrations