Geometry & MOs

Info

ID:	166136
PubChem CID:	74642426
Reduced:	INO3H22C24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	387.183444
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	4.65
IP(EA), eV:	-8.71(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(CCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4I

DOS

IR

Vibrations