Geometry & MOs

Info

ID:	270634
PubChem CID:	103637412
Reduced:	BrOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	341.02268
ΔH_f, kcal/mol:	13.71
Dipole, Da:	2.71
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[2-(3,5-difluorophenyl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNCCC2=NC=CS2)O

DOS

IR

Vibrations