Geometry & MOs

Info

ID:	124577
PubChem CID:	50888062
Reduced:	BrNO6C17H18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-157.76
Dipole, Da:	7.12
IP(EA), eV:	-9.12(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-6-methyl-4-(4-morpholin-4-ylphenyl)-3,4-dihydro-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=NOC2=O)C)Br)OCC(=O)OCC

DOS

IR

Vibrations