Geometry & MOs

Info

ID:	192610
PubChem CID:	78291048
Reduced:	BrNO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-80.89
Dipole, Da:	2.53
IP(EA), eV:	-8.88(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)OCC=C)OC

DOS

IR

Vibrations