Geometry & MOs

Info

ID:	18582
PubChem CID:	543443
Reduced:	O3C23H38 (1)
Stoich.:	A3B23C38 (1)
Weight, g/mol:	362.282095
ΔH_f, kcal/mol:	-204.05
Dipole, Da:	4.27
IP(EA), eV:	-10.26(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-9a,11a-dimethyl-5-pentyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one

Drug info:

PubChemData

Smile

CCCCCC1CC2C3CCC(C3(CCC2C4(C1OC(=O)CC4)C)C)O

DOS

IR

Vibrations