Geometry & MOs

Info

ID:	132630
PubChem CID:	51388987
Reduced:	FOSN6H23C28 (1)
Stoich.:	ABCD6E23F28 (1)
Weight, g/mol:	275.114415
ΔH_f, kcal/mol:	91.38
Dipole, Da:	3.04
IP(EA), eV:	-8.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C\C3=CC=C(C=C3)F)CNC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations