Geometry & MOs

Info

ID:	157263
PubChem CID:	56422468
Reduced:	ClN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-66.75
Dipole, Da:	2.89
IP(EA), eV:	-8.88(-1.02)
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]-4-phenylbenzamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)CCCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations