Geometry & MOs

Info

ID:	28516
PubChem CID:	828042
Reduced:	FN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	346.131742
ΔH_f, kcal/mol:	11.23
Dipole, Da:	1.67
IP(EA), eV:	-8.33(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(1-naphthalen-2-ylethylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN2CC3(CN1CN(C3)C2)N=CC4=CC=CC=C4F

DOS

IR

Vibrations