Geometry & MOs

Info

ID:	139892
PubChem CID:	52613263
Reduced:	ClFON5C25H25 (1)
Stoich.:	ABCD5E25F25 (1)
Weight, g/mol:	419.151288
ΔH_f, kcal/mol:	13.63
Dipole, Da:	2.64
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCCNC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)F)Cl)C4=CC=CC=C4

DOS

IR

Vibrations