Geometry & MOs

Info

ID:	435598
PubChem CID:	135191901
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	292.094688
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	8.75
IP(EA), eV:	-9.24(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-4-benzoyloxy-2-methoxycarbonylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=C)\CC1CCN(C1)C(=O)N[C@H]2COC3CC=CC=C3N(C2=O)C

DOS

IR

Vibrations