Geometry & MOs

Info

ID:	342693
PubChem CID:	127265853
Reduced:	FO2N3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	276.071034
ΔH_f, kcal/mol:	26.36
Dipole, Da:	6.25
IP(EA), eV:	-10.12(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(3,5-difluorophenyl)ethenyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1=CC(=C(C=C1)F)[N+](=O)[O-])C2=NC=CN=C2

DOS

IR

Vibrations