Geometry & MOs

Info

ID:	182608
PubChem CID:	76913759
Reduced:	NC12H13 (1)
Stoich.:	AB12C13 (1)
Weight, g/mol:	226.94043
ΔH_f, kcal/mol:	40.05
Dipole, Da:	5.46
IP(EA), eV:	-9.05(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-2-yl)but-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C=CC#N)C

DOS

IR

Vibrations