Geometry & MOs

Info

ID:	217109
PubChem CID:	85087270
Reduced:	N3O5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	332.103516
ΔH_f, kcal/mol:	-160.74
Dipole, Da:	4.78
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,3-dioxo-4-aza-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-12-yl)-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCCC(=O)NO

DOS

IR

Vibrations