Geometry & MOs

Info

ID:	62251
PubChem CID:	26718598
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-12.76
Dipole, Da:	4.65
IP(EA), eV:	-8.16(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations