Geometry & MOs

Info

ID:	157311
PubChem CID:	56422866
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-127.94
Dipole, Da:	4.7
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-2-oxoethyl]-3,5-dimethylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC2=C3C(=CC=C2)OCCO3)OCC=C

DOS

IR

Vibrations