Geometry & MOs

Info

ID:

3741

PubChem CID:

10096

Reduced:

NO4C24H39 (1)

Stoich.:

AB4C24D39 (1)

Weight, g/mol:

405.287909

ΔHf, kcal/mol:

-217.14

Dipole, Da:

3.06

IP(EA), eV:

 -8.73(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 2-[(1R,4bR,7S)-7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene]acetate

Drug info:

PubChemData

Smile

C[C@@H]1C2C(CCC1=CC(=O)OCCN(C)C)[C@]3(CC[C@@H](C(C3CC2=O)(C)C)O)C

DOS

IR

Vibrations