Geometry & MOs

Info

ID:	29015
PubChem CID:	831126
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-60.76
Dipole, Da:	5.31
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[1-(4-methylphenyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC=C(C=C2)OC

DOS

IR

Vibrations