Geometry & MOs

Info

ID:	127809
PubChem CID:	51016505
Reduced:	NC8H13 (1)
Stoich.:	AB8C13 (1)
Weight, g/mol:	406.165935
ΔH_f, kcal/mol:	0.48
Dipole, Da:	1.79
IP(EA), eV:	-8.83(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,11R,12S,14R,17R)-12-[(1R)-1-hydroxyethyl]-6-methoxy-14-methyl-8-aza-14-azoniapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylic acid;chloride

Drug info:

PubChemData

Smile

C1C=C[C@@H]2C[C@@H]1CNC2

DOS

IR

Vibrations