Geometry & MOs

Info

ID:	183636
PubChem CID:	77047153
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	248.076119
ΔH_f, kcal/mol:	-117.05
Dipole, Da:	6.62
IP(EA), eV:	-10.01(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-difluorophenyl)methyl]-6-methyl-5-methylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)C2C=NC(=O)C=N2)C(=O)O

DOS

IR

Vibrations