Geometry & MOs

Info

ID:	195916
PubChem CID:	78748659
Reduced:	NO5H23C25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	346.060801
ΔH_f, kcal/mol:	-126.76
Dipole, Da:	2.92
IP(EA), eV:	-8.82(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-2-oxoethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)O

DOS

IR

Vibrations