Geometry & MOs

Info

ID:	29077
PubChem CID:	831449
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	277.111422
ΔH_f, kcal/mol:	-193.68
Dipole, Da:	6.36
IP(EA), eV:	-9.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4S)-3-[(2-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)O

DOS

IR

Vibrations