Geometry & MOs

Info

ID:	404926
PubChem CID:	135071819
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	265.110279
ΔH_f, kcal/mol:	-191.61
Dipole, Da:	1.94
IP(EA), eV:	-8.54(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-phenylbut-3-enylideneamino] benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/CCCC(C(=O)OC)C(=O)OC

DOS

IR

Vibrations