Geometry & MOs

Info

ID:	291656
PubChem CID:	113456165
Reduced:	BrN2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	343.93857
ΔH_f, kcal/mol:	7.66
Dipole, Da:	3.39
IP(EA), eV:	-8.92(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyridin-3-yl)methylsulfinyl]-5-chloroaniline

Drug info:

PubChemData

Smile

CNCC1CCCCC1CC2=NC=C(C=C2)Br

DOS

IR

Vibrations