Geometry & MOs

Info

ID:	281317
PubChem CID:	103913695
Reduced:	FN2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	269.09644
ΔH_f, kcal/mol:	14.83
Dipole, Da:	3.78
IP(EA), eV:	-8.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyano-2-fluorophenyl)methylamino]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations