Geometry & MOs

Info

ID:	31366
PubChem CID:	855626
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	311.08254
ΔH_f, kcal/mol:	-40.05
Dipole, Da:	4.2
IP(EA), eV:	-9.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC(C)(C)C

DOS

IR

Vibrations