Geometry & MOs

Info

ID:	191909
PubChem CID:	78200052
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-17.26
Dipole, Da:	9.51
IP(EA), eV:	-9.18(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4-trimethyl-3,4,5a,6,7,8,9,9a-octahydropyrano[2,3-b]chromen-5-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2C=NC(=O)N=C2

DOS

IR

Vibrations