Geometry & MOs

Info

ID:	374479
PubChem CID:	131330077
Reduced:	ON2F3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	305.95256
ΔH_f, kcal/mol:	-163.39
Dipole, Da:	3.46
IP(EA), eV:	-7.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(bromomethyl)-4-(difluoromethyl)-1-benzothiophen-3-yl]methanol

Drug info:

PubChemData

Smile

CN1C(=CC2=C(C=CC(=C21)O)N)C(F)(F)F

DOS

IR

Vibrations