Geometry & MOs

Info

ID:	79687
PubChem CID:	49829982
Reduced:	ClN2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	421.246438
ΔH_f, kcal/mol:	-153.65
Dipole, Da:	7.62
IP(EA), eV:	-8.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C=CC(=O)OC(C)C(=O)NC2=C(N=CC=C2)Cl)OC

DOS

IR

Vibrations