Geometry & MOs

Info

ID:	372848
PubChem CID:	131305969
Reduced:	IN2O3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	305.95256
ΔH_f, kcal/mol:	39.49
Dipole, Da:	5.04
IP(EA), eV:	-10.45(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-7-(difluoromethyl)-2-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=C(C=C1)I)C#N)[N+](=O)[O-]

DOS

IR

Vibrations