Geometry & MOs

Info

ID:	342513
PubChem CID:	127265668
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	230.085541
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	4.22
IP(EA), eV:	-9.38(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5-fluoro-2-methylphenyl)ethenyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C(=O)NCC=CC1=CC=CC=C1)O

DOS

IR

Vibrations