Geometry & MOs

Info

ID:	72470
PubChem CID:	48416211
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-135.83
Dipole, Da:	3.28
IP(EA), eV:	-8.43(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2,3-dimethoxybenzoyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC(=CC=C2)N(C)C)C(=O)OC

DOS

IR

Vibrations