Geometry & MOs

Info

ID:	270122
PubChem CID:	103629331
Reduced:	BrFON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	354.00376
ΔH_f, kcal/mol:	-38.03
Dipole, Da:	6.9
IP(EA), eV:	-8.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)F)NC2=CN=C(C=C2)Br

DOS

IR

Vibrations