Geometry & MOs

Info

ID:	23246
PubChem CID:	602917
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	-111.14
Dipole, Da:	2.27
IP(EA), eV:	-9.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations