Geometry & MOs

Info

ID:	433818
PubChem CID:	135173961
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	290.118795
ΔH_f, kcal/mol:	-23.66
Dipole, Da:	4.63
IP(EA), eV:	-8.01(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbicyclo[3.3.1]nonane-1-carbonyl)oxyethanesulfonic acid

Drug info:

PubChemData

Smile

C[C@]1(CCN1C(=O)OCC2=CC=CC=C2)CCN(C)C(=NC)/C(=C\N)/C=C\NC

DOS

IR

Vibrations