Geometry & MOs

Info

ID:

176421

PubChem CID:

76046872

Reduced:

NO6C14H21 (1)

Stoich.:

AB6C14D21 (1)

Weight, g/mol:

714.477187

ΔHf, kcal/mol:

-252.75

Dipole, Da:

3.96

IP(EA), eV:

 -9.12(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8a-[4-[3-(4-fluorophenyl)prop-2-enoyl]piperazine-1-carbonyl]-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)N)O

DOS

IR

Vibrations