Geometry & MOs

Info

ID:	243958
PubChem CID:	99303023
Reduced:	FO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	8.06
IP(EA), eV:	-8.54(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](C(=O)NC1)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations