Geometry & MOs

Info

ID:	127687
PubChem CID:	51011451
Reduced:	O6C17H20 (1)
Stoich.:	A6B17C20 (1)
Weight, g/mol:	327.098097
ΔH_f, kcal/mol:	-238.9
Dipole, Da:	7.27
IP(EA), eV:	-10.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R,2S,3S,4S)-3-[(3-nitrophenyl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]([C@H]([C@@H]2C[C@]1(C(=O)O2)O)OC(=O)C3=CC=CC=C3)CCCO

DOS

IR

Vibrations