Geometry & MOs

Info

ID:	45833
PubChem CID:	10518047
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	296.141245
ΔH_f, kcal/mol:	-96.68
Dipole, Da:	2.9
IP(EA), eV:	-9.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(4-phenylmethoxyphenyl)but-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCCC(=O)OC

DOS

IR

Vibrations