Geometry & MOs

Info

ID:	146458
PubChem CID:	53692412
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	496.317532
ΔH_f, kcal/mol:	26.07
Dipole, Da:	4.94
IP(EA), eV:	-9.66(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 3-(cyclopentylmethyl)-4-oxo-4-[(9-oxo-8-aza-1-azoniatricyclo[10.6.1.013,18]nonadeca-1(19),13,15,17-tetraen-10-yl)amino]butanoate

Drug info:

PubChemData

Smile

CCC#CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations