Geometry & MOs

Info

ID:	281319
PubChem CID:	103913698
Reduced:	FN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	21.8
Dipole, Da:	3.86
IP(EA), eV:	-8.42(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations