Geometry & MOs

Info

ID:	127688
PubChem CID:	51011452
Reduced:	N2O5H15C17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	327.098097
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	8.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755619
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC12[C@H]3C=C[C@@H]2[C@@H]([C@H]3C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C(=O)[O-]

DOS

IR

Vibrations