Geometry & MOs

Info

ID:	28147
PubChem CID:	825850
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-149.83
Dipole, Da:	6.07
IP(EA), eV:	-9.61(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4R)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]12CCC[C@]([C@H]1CCC3=CC(=C(C=C23)O)[N+](=O)[O-])(C)C(=O)O

DOS

IR

Vibrations