Geometry & MOs

Info

ID:	140618
PubChem CID:	52730781
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	378.156615
ΔH_f, kcal/mol:	-62.76
Dipole, Da:	6.84
IP(EA), eV:	-9.19(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-carbamoylphenyl)-3-[3-(1H-imidazol-3-ium-3-yl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

C=CC(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations