Geometry & MOs

Info

ID:	194548
PubChem CID:	78553670
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	-102.86
Dipole, Da:	8.79
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations