Geometry & MOs

Info

ID:	141626
PubChem CID:	52903859
Reduced:	ClN2O3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	264.03017
ΔH_f, kcal/mol:	-58.6
Dipole, Da:	2.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768905
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=O)N(C=N2)CC(=O)[O-])Cl

DOS

IR

Vibrations