Geometry & MOs

Info

ID:	186297
PubChem CID:	77416194
Reduced:	O3C19H24 (1)
Stoich.:	A3B19C24 (1)
Weight, g/mol:	268.203845
ΔH_f, kcal/mol:	-115.18
Dipole, Da:	4.87
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpropyl)-2,3,5,6,6a,7,8,9,9a,9b-decahydro-1H-cyclopenta[f]chromene-4a,7-diol

Drug info:

PubChemData

Smile

CCC1C2CCC3=CC(=O)CCC3=C2C=CC1(C)C(=O)OC

DOS

IR

Vibrations