Geometry & MOs

Info

ID:	122604
PubChem CID:	50814136
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	443.184506
ΔH_f, kcal/mol:	-55.4
Dipole, Da:	6.67
IP(EA), eV:	-8.69(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)N3CCCN(C3=O)CC4=CC=CC=C4

DOS

IR

Vibrations