Geometry & MOs

Info

ID:	248698
PubChem CID:	103083707
Reduced:	BrN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	336.01095
ΔH_f, kcal/mol:	-6.85
Dipole, Da:	3.57
IP(EA), eV:	-9.76(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-bromo-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C(C(=N2)C3CC3)C(=O)O

DOS

IR

Vibrations