Geometry & MOs

Info

ID:	3775
PubChem CID:	10157
Reduced:	O7C21H24 (1)
Stoich.:	A7B21C24 (1)
Weight, g/mol:	388.152203
ΔH_f, kcal/mol:	-291.65
Dipole, Da:	5.88
IP(EA), eV:	-9.25(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) 2-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C

DOS

IR

Vibrations