Geometry & MOs

Info

ID:	194370
PubChem CID:	78524562
Reduced:	NO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	404.102666
ΔH_f, kcal/mol:	-102.16
Dipole, Da:	4.11
IP(EA), eV:	-9.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)-2-oxoethyl] 3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations