Geometry & MOs

Info

ID:

59339

PubChem CID:

24814839

Reduced:

NC15H18 (2)

Stoich.:

AB15C18 (2)

Weight, g/mol:

572.575698

ΔHf, kcal/mol:

35.25

Dipole, Da:

1.36

IP(EA), eV:

 -9.21(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-aminopropyl)-N'-[3-[[(3S,5S,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]propyl]butane-1,4-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]2CC3=CC=CC=C3C(=N2)C4=N[C@@H](CC5=CC=CC=C54)C6CCCCC6

DOS

IR

Vibrations