Geometry & MOs

Info

ID:	29892
PubChem CID:	838044
Reduced:	NO6C18H19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	322.060801
ΔH_f, kcal/mol:	-192.88
Dipole, Da:	5.99
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 2,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NC2=CC=CC=C2C(=O)OC)OC)OC

DOS

IR

Vibrations