Geometry & MOs

Info

ID:	448786
PubChem CID:	135293606
Reduced:	FNO2C24H26 (1)
Stoich.:	ABC2D24E26 (1)
Weight, g/mol:	275.085875
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	2.86
IP(EA), eV:	-8.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-(6-phenylpyrazin-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CCC/C=C/C(C1=CC(=C(C=C1)C=C=O)F)N/C(=C\C)/C2=CC=C(C=C2)OC

DOS

IR

Vibrations