Geometry & MOs

Info

ID:	51880
PubChem CID:	12014640
Reduced:	BrClN2O2H14C17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	372.04734
ΔH_f, kcal/mol:	-18.64
Dipole, Da:	8.01
IP(EA), eV:	-9.31(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations