Geometry & MOs

Info

ID:	15166
PubChem CID:	431673
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	3.35
IP(EA), eV:	-9.11(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol

Drug info:

PubChemData

Smile

CC12CC(CC34C1C5CC67C3C(C(C(C6C4N5C2)O)C(=C)C7)O)O

DOS

IR

Vibrations