Geometry & MOs

Info

ID:

169166

PubChem CID:

75069384

Reduced:

OC10H16 (3)

Stoich.:

AB10C16 (3)

Weight, g/mol:

600.346427

ΔHf, kcal/mol:

-188.58

Dipole, Da:

3.31

IP(EA), eV:

 -9.24(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

28,39-di(ethylidene)-10-methoxy-36-oxa-8,14,24,30-tetrazadodecacyclo[25.5.2.211,14.11,26.19,25.110,17.02,7.013,17.018,23.030,33.08,35.024,37]nonatriaconta-2,4,6,18,20,22-hexaene

Drug info:

PubChemData

Smile

CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3(C2CC=C4C3CCC(C4(C)C)O)C)C)C

DOS

IR

Vibrations