Geometry & MOs

Info

ID:	164089
PubChem CID:	74381850
Reduced:	N2O3C19H32 (1)
Stoich.:	A2B3C19D32 (1)
Weight, g/mol:	490.40221
ΔH_f, kcal/mol:	-137.7
Dipole, Da:	4.2
IP(EA), eV:	-8.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-(2,10-dihydroxy-2,10-dimethylundecan-6-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC(=C1)C(=O)OCC(CC(C)C)N(C)C)N

DOS

IR

Vibrations