Geometry & MOs

Info

ID:	18637
PubChem CID:	545008
Reduced:	ClN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	308.09277
ΔH_f, kcal/mol:	-120.83
Dipole, Da:	3.11
IP(EA), eV:	-9.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2Cl)C)C

DOS

IR

Vibrations