Geometry & MOs

Info

ID:	379370
PubChem CID:	134419204
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	282.243304
ΔH_f, kcal/mol:	-180.2
Dipole, Da:	2.08
IP(EA), eV:	-9.02(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-3,3-dimethylbutan-2-yl] 4-(1-azoniabicyclo[2.2.2]octan-1-yl)butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C(=O)O[C@H](C)C(C)(C)C)O

DOS

IR

Vibrations