Geometry & MOs

Info

ID:	58928
PubChem CID:	24718584
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	404.172752
ΔH_f, kcal/mol:	-85.8
Dipole, Da:	6.17
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCC(C)N(CC(=O)NC1=NC=C(S1)C)C(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations