Geometry & MOs

Info

ID:

186182

PubChem CID:

77399862

Reduced:

NO2C28H45 (1)

Stoich.:

AB2C28D45 (1)

Weight, g/mol:

567.179421

ΔHf, kcal/mol:

-143.81

Dipole, Da:

2.32

IP(EA), eV:

 -8.65(1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(20,20-dimethyl-27-nitro-19,23-dioxa-3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.021,30.024,29]triaconta-1(18),2,4(9),5,7,10,12,14,16,24(29),25,27-dodecaen-7-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1C2C(CCCN2)OC13CCC4C5CCC6CC(CCC6(C5CC4=C(C3)C)C)OC

DOS

IR

Vibrations