Geometry & MOs

Info

ID:	89482
PubChem CID:	49962056
Reduced:	O3N4H12C16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	307.095691
ΔH_f, kcal/mol:	45.6
Dipole, Da:	4.97
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-diamino-4-(1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)[N+](=O)[O-]

DOS

IR

Vibrations