Geometry & MOs

Info

ID:

187685

PubChem CID:

77609949

Reduced:

O2C35H60 (1)

Stoich.:

A2B35C60 (1)

Weight, g/mol:

546.537581

ΔHf, kcal/mol:

-202.07

Dipole, Da:

2.47

IP(EA), eV:

 -9.1(0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-butan-2-yloxybutane;6-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-3-propan-2-ylheptan-1-ol

Drug info:

PubChemData

Smile

CCCCC(=O)OC1CCC2(C(C1C)CCC3C2CCC4(C3CCC4C(C)C=C(C)C(C)C(C)C)C)C

DOS

IR

Vibrations