Geometry & MOs

Info

ID:	72446
PubChem CID:	48416184
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-176.93
Dipole, Da:	4.5
IP(EA), eV:	-8.86(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=C(O2)C)C(=O)OC

DOS

IR

Vibrations