Geometry & MOs

Info

ID:	143600
PubChem CID:	53233356
Reduced:	FNO4H20C22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	241.046296
ΔH_f, kcal/mol:	-132.23
Dipole, Da:	3.3
IP(EA), eV:	-8.48(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C=C1)N(C(=C2)C(=O)/C=C/C3=CC=C(C=C3)F)CCOC

DOS

IR

Vibrations