Geometry & MOs

Info

ID:	367822
PubChem CID:	127325927
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	6.32
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations