Geometry & MOs

Info

ID:	72410
PubChem CID:	48416146
Reduced:	NO6C23H23 (1)
Stoich.:	AB6C23D23 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-200.95
Dipole, Da:	5.3
IP(EA), eV:	-8.69(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OC

DOS

IR

Vibrations