Geometry & MOs

Info

ID:

186500

PubChem CID:

77439140

Reduced:

ON2C24H40 (1)

Stoich.:

AB2C24D40 (1)

Weight, g/mol:

697.55226

ΔHf, kcal/mol:

-60.36

Dipole, Da:

2.86

IP(EA), eV:

 -8.74(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[3-[2-[3a,6,8-trimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]propylamino]propylamino]-6-oxohexyl] 2-(methylamino)ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)CCNC(CC1=CC=CC=C1)CN2CCCC2CO

DOS

IR

Vibrations