Geometry & MOs

Info

ID:	51879
PubChem CID:	12014639
Reduced:	BrN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	391.99272
ΔH_f, kcal/mol:	-9.53
Dipole, Da:	6.62
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(4-chlorophenyl)-6-(4-methoxyphenyl)-5,6-dihydro-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(=NC(=O)N2)C3=CC=CC=C3)Br

DOS

IR

Vibrations