Geometry & MOs

Info

ID:	147839
PubChem CID:	53787497
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	248.039734
ΔH_f, kcal/mol:	-53.02
Dipole, Da:	2.12
IP(EA), eV:	-8.42(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenyl)-6-methylidene-5-(oxomethylidene)pyrimidin-2-one

Drug info:

PubChemData

Smile

CN(C)COC1=CC=C(C=C1)O

DOS

IR

Vibrations