Geometry & MOs

Info

ID:	31115
PubChem CID:	854586
Reduced:	NO4H9C14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	329.045486
ΔH_f, kcal/mol:	-81.88
Dipole, Da:	8.13
IP(EA), eV:	-9.17(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=COC3=CC(=O)C=C(C3=C2O)O

DOS

IR

Vibrations