Geometry & MOs

Info

ID:	281305
PubChem CID:	103913674
Reduced:	F2N2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	290.062219
ΔH_f, kcal/mol:	-19.57
Dipole, Da:	4.32
IP(EA), eV:	-8.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-4-methoxyanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations