Geometry & MOs

Info

ID:	72463
PubChem CID:	48416203
Reduced:	NO5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-175.77
Dipole, Da:	5.11
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations