Geometry & MOs

Info

ID:	141343
PubChem CID:	52863616
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	459.179421
ΔH_f, kcal/mol:	24.3
Dipole, Da:	5.79
IP(EA), eV:	-9.82(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[[3-(phenylcarbamoylamino)phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CN1C=NC=N1)C2=CC=CC=C2

DOS

IR

Vibrations