Geometry & MOs

Info

ID:

218626

PubChem CID:

85089715

Reduced:

O3N6C26H42 (1)

Stoich.:

A3B6C26D42 (1)

Weight, g/mol:

486.37091

ΔHf, kcal/mol:

-145.65

Dipole, Da:

6.53

IP(EA), eV:

 -8.65(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[1-[1-[3-(1-hydroxycyclohexyl)propoxy]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-(hydroxymethyl)-4-methylidenecyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C(=O)NCCCCCCNC(=O)C(CCCCN)N)NC(=O)CCC1=CNC2=CC=CC=C21

DOS

IR

Vibrations