Geometry & MOs

Info

ID:	312811
PubChem CID:	126608865
Reduced:	NO6C18H19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-143.9
Dipole, Da:	7.9
IP(EA), eV:	-8.76(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCOC2=C(C=CC(=C2)OC)/C=C/C(=O)NO

DOS

IR

Vibrations