Geometry & MOs

Info

ID:

9673

PubChem CID:

92198

Reduced:

N2C21H36 (1)

Stoich.:

A2B21C36 (1)

Weight, g/mol:

316.287849

ΔHf, kcal/mol:

-43.09

Dipole, Da:

2.65

IP(EA), eV:

 -9.1(1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-aminoethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N)C)C)N

DOS

IR

Vibrations