Geometry & MOs

Info

ID:	267911
PubChem CID:	103590285
Reduced:	FON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	255.117176
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	2.83
IP(EA), eV:	-8.08(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-4-fluoro-5-methylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCC2CC3=CC=CC=C3O2

DOS

IR

Vibrations