Geometry & MOs

Info

ID:

227677

PubChem CID:

87562211

Reduced:

O2C9H20 (1)

Stoich.:

A2B9C20 (1)

Weight, g/mol:

617.350509

ΔHf, kcal/mol:

-103.69

Dipole, Da:

2.98

IP(EA), eV:

-9.9(1.32)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2E,9E,13E,15E,17E,19Z,21Z,23E,25E,27E,29E,31E)-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-1(35),2,5,7,9,13,15,17,19,21,23,25,27,29,31,33-hexadecaene

Drug info:

PubChemData

Smile

CCCCOCCO.CC=C

DOS

IR

Vibrations