Geometry & MOs

Info

ID:	281324
PubChem CID:	103913705
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	250.090627
ΔH_f, kcal/mol:	-46.89
Dipole, Da:	8.63
IP(EA), eV:	-8.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-ethynylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCCNC2=CC=CC=C2

DOS

IR

Vibrations