Geometry & MOs

Info

ID:	281326
PubChem CID:	103913707
Reduced:	ON2F3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	270.116841
ΔH_f, kcal/mol:	-110.71
Dipole, Da:	1.69
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(4-methoxy-2-methylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C#N)F)CNC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations