Geometry & MOs

Info

ID:	243947
PubChem CID:	99302957
Reduced:	ClO2F3N4H20C22 (1)
Stoich.:	AB2C3D4E20F22 (1)
Weight, g/mol:	433.166938
ΔH_f, kcal/mol:	-159.16
Dipole, Da:	10.16
IP(EA), eV:	-8.43(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-methyl-N-[3-(1-methyl-5-phenylpyrazol-3-yl)propyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1CNC(=O)C2=NN(C=C2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations