Geometry & MOs

Info

ID:	267912
PubChem CID:	103590286
Reduced:	FN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	255.117176
ΔH_f, kcal/mol:	23.97
Dipole, Da:	2.55
IP(EA), eV:	-8.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-amino-4-fluoro-5-methylanilino)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations