Geometry & MOs

Info

ID:	27683
PubChem CID:	823037
Reduced:	N2O5C12H14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	198.052823
ΔH_f, kcal/mol:	-123.88
Dipole, Da:	7.31
IP(EA), eV:	-10.46(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,6S,7S)-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations