Geometry & MOs

Info

ID:	224013
PubChem CID:	85336976
Reduced:	ON3C12H26 (2)
Stoich.:	AB3C12D26 (2)
Weight, g/mol:	460.35526
ΔH_f, kcal/mol:	-155.0
Dipole, Da:	6.38
IP(EA), eV:	-9.01(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-[1-(3-ethyl-3-hydroxypentoxy)propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC(CCCCN)C(=O)NCCCNCCCCNCCCN

DOS

IR

Vibrations