Geometry & MOs

Info

ID:

44361

PubChem CID:

10503136

Reduced:

N3O5C23H39 (1)

Stoich.:

A3B5C23D39 (1)

Weight, g/mol:

437.315461

ΔHf, kcal/mol:

-236.94

Dipole, Da:

6.18

IP(EA), eV:

 -9.13(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10S)-10-[2-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-6-methoxy-10-methyl-1,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

Drug info:

PubChemData

Smile

CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCOCCCCOCCCN

DOS

IR

Vibrations