Geometry & MOs

Info

ID:	69700
PubChem CID:	47205200
Reduced:	O3N4C11H12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	292.072703
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	2.61
IP(EA), eV:	-9.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-oxo-2-(1H-pyrazol-5-ylmethylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations