Geometry & MOs

Info

ID:	395394
PubChem CID:	135025362
Reduced:	ClN3O3H12C16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	440.162374
ΔH_f, kcal/mol:	17.71
Dipole, Da:	2.02
IP(EA), eV:	-9.48(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2,2-dimethyl-8-phenyl-7-phenylmethoxypyrano[3,2-g]chromen-6-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2=[N+](N(N=C2)C3=CC(=CC=C3)Cl)[O-]

DOS

IR

Vibrations