Geometry & MOs

Info

ID:	382950
PubChem CID:	134974398
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	653.413845
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	1.77
IP(EA), eV:	-9.72(0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(11S)-8-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-piperidin-1-yl-9-oxa-5-azoniatetracyclo[11.4.0.01,5.06,11]heptadeca-5,7-dien-10-one

Drug info:

PubChemData

Smile

CCOC(=O)C\1CCC(C/C1=N\O)C(C)(C)C

DOS

IR

Vibrations