Geometry & MOs

Info

ID:

397477

PubChem CID:

135030263

Reduced:

O3N5C26H35 (1)

Stoich.:

A3B5C26D35 (1)

Weight, g/mol:

423.299811

ΔHf, kcal/mol:

-21.25

Dipole, Da:

8.02

IP(EA), eV:

 -9.59(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CCN2C=NC3=C2C(=NC=N3)N1O)/C=C/C4([C@H]5CCCC6(C5(CCC4=C)C)OCCO6)C

DOS

IR

Vibrations