Geometry & MOs

Info

ID:	336391
PubChem CID:	127255398
Reduced:	NO4H12C13 (2)
Stoich.:	AB4C12D13 (2)
Weight, g/mol:	234.081187
ΔH_f, kcal/mol:	-188.88
Dipole, Da:	5.07
IP(EA), eV:	-9.55(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-pyridin-4-yl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)OC2=CC=CC=C2[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations