Geometry & MOs

Info

ID:	51878
PubChem CID:	12014638
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	358.03169
ΔH_f, kcal/mol:	5.46
Dipole, Da:	6.87
IP(EA), eV:	-9.05(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C\2=NC(=O)N/C2=C\C3=CC=C(C=C3)OC

DOS

IR

Vibrations