Geometry & MOs

Info

ID:	192611
PubChem CID:	78291049
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	319.120843
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	2.83
IP(EA), eV:	-8.64(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC=C)OC

DOS

IR

Vibrations