Geometry & MOs

Info

ID:	367831
PubChem CID:	127325939
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-67.32
Dipole, Da:	4.5
IP(EA), eV:	-8.83(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations