Geometry & MOs

Info

ID:	383004
PubChem CID:	134974486
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	653.413845
ΔH_f, kcal/mol:	-112.5
Dipole, Da:	1.3
IP(EA), eV:	-9.23(0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-butyl-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-piperidin-1-ium-1-yl-9-oxa-5-azatetracyclo[11.4.0.01,5.06,11]heptadeca-6(11),7-dien-10-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](NC1)CCC(=O)OC

DOS

IR

Vibrations