Geometry & MOs

Info

ID:	10611
PubChem CID:	105660
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	-114.55
Dipole, Da:	6.47
IP(EA), eV:	-9.47(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-methyl-6-oxobenzo[c]chromene-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C3=CC=CC=C3C(=O)OC2=C(C=C1)C(=O)OC

DOS

IR

Vibrations