Geometry & MOs

Info

ID:	424121
PubChem CID:	135121411
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	234.96328
ΔH_f, kcal/mol:	-178.07
Dipole, Da:	7.65
IP(EA), eV:	-10.89(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromophenyl)-2-formylprop-2-enenitrile

Drug info:

PubChemData

Smile

CCC1C2C(C(=O)OC2C(=O)O1)C

DOS

IR

Vibrations