Geometry & MOs

Info

ID:	372376
PubChem CID:	131296667
Reduced:	SF3N4H7C8 (1)
Stoich.:	AB3C4D7E8 (1)
Weight, g/mol:	246.99966
ΔH_f, kcal/mol:	-88.72
Dipole, Da:	4.89
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)-2-cyclopropylprop-2-enenitrile

Drug info:

PubChemData

Smile

C1=C(SC=N1)C2=C(NC(=N2)C(F)(F)F)CN

DOS

IR

Vibrations