Geometry & MOs

Info

ID:	372627
PubChem CID:	131301121
Reduced:	NBr2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	291.9369
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	4.99
IP(EA), eV:	-9.04(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-2-(difluoromethyl)-1-benzothiophen-4-yl]methanol

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)[C@@H](C=C)N)Br)Br)O

DOS

IR

Vibrations