Geometry & MOs

Info

ID:	175015
PubChem CID:	75845866
Reduced:	ClSO2N4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	297.16079
ΔH_f, kcal/mol:	-7.87
Dipole, Da:	5.34
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CSC(=N1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations