Geometry & MOs

Info

ID:	281321
PubChem CID:	103913701
Reduced:	FN2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	268.137577
ΔH_f, kcal/mol:	26.09
Dipole, Da:	4.27
IP(EA), eV:	-8.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(4-propan-2-ylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations