Geometry & MOs

Info

ID:	26077
PubChem CID:	638019
Reduced:	OC27H46 (1)
Stoich.:	AB27C46 (1)
Weight, g/mol:	290.175619
ΔH_f, kcal/mol:	-119.12
Dipole, Da:	2.49
IP(EA), eV:	-9.07(1.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

DOS

IR

Vibrations