Geometry & MOs

Info

ID:	57091
PubChem CID:	22395325
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	479.16925
ΔH_f, kcal/mol:	20.72
Dipole, Da:	12.01
IP(EA), eV:	-8.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-(1,3-benzodioxol-4-yl)-3-cyano-7-(dimethylamino)-4H-chromen-2-yl]-N-ethoxycarbonylcarbamate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations