Geometry & MOs

Info

ID:	281301
PubChem CID:	103913669
Reduced:	F2N2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	294.078011
ΔH_f, kcal/mol:	-21.63
Dipole, Da:	4.52
IP(EA), eV:	-8.73(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[[4-(trifluoromethyl)anilino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations