Geometry & MOs

Info

ID:	70647
PubChem CID:	48413655
Reduced:	ClN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	2.89
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)Cl)OC)OC

DOS

IR

Vibrations