Geometry & MOs

Info

ID:

43764

PubChem CID:

10321756

Reduced:

N2C15H19 (2)

Stoich.:

A2B15C19 (2)

Weight, g/mol:

454.344695

ΔHf, kcal/mol:

63.13

Dipole, Da:

5.21

IP(EA), eV:

 -8.23(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,3aS,5aR,5bR,8R,9R,11aR,11bS,13bS)-9-hydroxy-5a,5b,8,11a,13b-pentamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene-8-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN(C2=N)CCCCCCCCCCCCN3C=CC4=CC=CC=C4C3=N

DOS

IR

Vibrations