Geometry & MOs

Info

ID:	396313
PubChem CID:	135028048
Reduced:	ClO3H13C19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	306.089209
ΔH_f, kcal/mol:	-51.4
Dipole, Da:	4.96
IP(EA), eV:	-9.2(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethenyl-3-hydroxy-9-methyl-6H-chromeno[4,3-b]chromen-7-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C(=O)C3=C(O2)C4=CC=CC=C4OC3C=C

DOS

IR

Vibrations