Geometry & MOs

Info

ID:

186181

PubChem CID:

77399861

Reduced:

NO2C27H41 (1)

Stoich.:

AB2C27D41 (1)

Weight, g/mol:

427.34503

ΔHf, kcal/mol:

-98.3

Dipole, Da:

2.21

IP(EA), eV:

 -8.93(1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methoxy-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]

Drug info:

PubChemData

Smile

CC1C2C(CCCN2)OC13CCC4C5CC=C6CC(CCC6(C5CC4=C(C3)C)C)O

DOS

IR

Vibrations