Geometry & MOs

Info

ID:	85935
PubChem CID:	49880337
Reduced:	ClO2N3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	349.09551
ΔH_f, kcal/mol:	11.05
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.277406
Charge, e:	-1

Chem-info

IUPAC name:

8-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]-4H-1,3-benzodioxin-6-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C(=O)O.[Cl-]

DOS

IR

Vibrations