Geometry & MOs

Info

ID:	72431
PubChem CID:	48416169
Reduced:	NO6C23H29 (1)
Stoich.:	AB6C23D29 (1)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-218.99
Dipole, Da:	4.02
IP(EA), eV:	-8.27(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CC2=CC(=C(C=C2)OC)OC)C(=O)OC

DOS

IR

Vibrations