Geometry & MOs

Info

ID:	208419
PubChem CID:	80528505
Reduced:	BrFNSC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	287.034705
ΔH_f, kcal/mol:	-40.92
Dipole, Da:	1.5
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorothiophen-2-yl)-(2,4-difluorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1(CCCS1)CNCC2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations