Geometry & MOs

Info

ID:	166134
PubChem CID:	74642193
Reduced:	ClN2O4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	447.204573
ΔH_f, kcal/mol:	-85.65
Dipole, Da:	4.64
IP(EA), eV:	-8.38(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2,5-diethoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OC)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations