Geometry & MOs

Info

ID:	24267
PubChem CID:	608896
Reduced:	Cl2N2O3H10C16 (1)
Stoich.:	A2B2C3D10E16 (1)
Weight, g/mol:	348.006848
ΔH_f, kcal/mol:	-53.81
Dipole, Da:	9.2
IP(EA), eV:	-9.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(2,4-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)Cl)Cl)C(=O)O1

DOS

IR

Vibrations