Geometry & MOs

Info

ID:	57094
PubChem CID:	22395328
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	366.085186
ΔH_f, kcal/mol:	50.71
Dipole, Da:	5.33
IP(EA), eV:	-8.03(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-8-(7-methoxy-3H-1,2-benzodioxol-5-yl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)N(C)C

DOS

IR

Vibrations