Geometry & MOs

Info

ID:

222821

PubChem CID:

85332635

Reduced:

OF3N5C30H42 (1)

Stoich.:

AB3C5D30E42 (1)

Weight, g/mol:

545.42328

ΔHf, kcal/mol:

-191.43

Dipole, Da:

3.84

IP(EA), eV:

 -8.56(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C1=CC=C(C=C1)C(F)(F)F)N2CCN(CC2C)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C

DOS

IR

Vibrations