Geometry & MOs

Info

ID:	135327
PubChem CID:	51851968
Reduced:	ClOC26H35 (1)
Stoich.:	ABC26D35 (1)
Weight, g/mol:	354.125395
ΔH_f, kcal/mol:	-13.37
Dipole, Da:	2.31
IP(EA), eV:	-9.53(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R,2S,3R,4S)-3-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCCC[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3C/C(=C\C5=CC=CC=C5Cl)/[C@@H]4O)C

DOS

IR

Vibrations