Geometry & MOs

Info

ID:	27447
PubChem CID:	821370
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	342.170533
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	6.13
IP(EA), eV:	-9.03(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,9S)-3-hydroxy-4,13-dimethoxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)N2CCCC[C@H]2C3=CN=CC=C3

DOS

IR

Vibrations