Geometry & MOs

Info

ID:	69629
PubChem CID:	47205052
Reduced:	ClON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	13.45
Dipole, Da:	5.05
IP(EA), eV:	-9.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC2=CC=NN2)Cl

DOS

IR

Vibrations