Geometry & MOs

Info

ID:	127785
PubChem CID:	51015024
Reduced:	INO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	2.61
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,7R)-5-[(4-nitrophenyl)methoxy]tricyclo[5.2.1.02,6]deca-3,8-diene

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2CC(=O)OCC(=O)NC3=CC=CC=C3I

DOS

IR

Vibrations