Geometry & MOs

Info

ID:	281323
PubChem CID:	103913703
Reduced:	FN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	13.64
Dipole, Da:	3.95
IP(EA), eV:	-8.51(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylphenyl)sulfonylpropyl]aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations