Geometry & MOs

Info

ID:	24812
PubChem CID:	613810
Reduced:	O3C13H16 (2)
Stoich.:	A3B13C16 (2)
Weight, g/mol:	440.219889
ΔH_f, kcal/mol:	-204.85
Dipole, Da:	4.89
IP(EA), eV:	-8.81(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-6,8-dimethoxychromen-2-one

Drug info:

PubChemData

Smile

CC1(C2CCC(=C)C(C2(CCC1=O)C)COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)C

DOS

IR

Vibrations