Geometry & MOs

Info

ID:	206075
PubChem CID:	80199281
Reduced:	NF3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	287.034705
ΔH_f, kcal/mol:	-109.33
Dipole, Da:	1.72
IP(EA), eV:	-9.45(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)F)F)NCCC2=CC(=CC=C2)F

DOS

IR

Vibrations