Geometry & MOs

Info

ID:	374651
PubChem CID:	131342342
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	355.85045
ΔH_f, kcal/mol:	30.0
Dipole, Da:	2.21
IP(EA), eV:	-8.92(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(bromomethyl)-7-(difluoromethyl)-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=CC(=C2CCNC(CC2=C1)C#N)C

DOS

IR

Vibrations