Geometry & MOs

Info

ID:

160162

PubChem CID:

57304882

Reduced:

B2N2C31H34 (1)

Stoich.:

A2B2C31D34 (1)

Weight, g/mol:

317.235479

ΔHf, kcal/mol:

90.0

Dipole, Da:

1.76

IP(EA), eV:

 -8.7(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9R,10S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

[B](CCCCC[B]C(C1=CC=CC=C1)(C2=CC=CC=C2)N)C(C3=CC=CC=C3)(C4=CC=CC=C4)N

DOS

IR

Vibrations