Geometry & MOs

Info

ID:

401916

PubChem CID:

135053376

Reduced:

SeN2C15H17 (1)

Stoich.:

AB2C15D17 (1)

Weight, g/mol:

412.370516

ΔHf, kcal/mol:

86.16

Dipole, Da:

2.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.600773

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4aR,6aR,6bS,8aS,12aR,14aS,14bR)-4,4,6a,8a,11,11,14b-heptamethyl-2,3,4a,5,6,6b,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-ol

Drug info:

PubChemData

Smile

CCN(CC)C(=NC1=CC=CC2=CC=CC=C21)[Se]

DOS

IR

Vibrations