Geometry & MOs

Info

ID:	127828
PubChem CID:	51018760
Reduced:	N3O4C10H14 (2)
Stoich.:	A3B4C10D14 (2)
Weight, g/mol:	303.074287
ΔH_f, kcal/mol:	70.96
Dipole, Da:	6.88
IP(EA), eV:	-9.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-3-[(3-carboxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C=C[C@]2(C[C@]1(CN(C2)CCCCN3C[C@@]4(CC=C[C@@](C4)(C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations