Geometry & MOs

Info

ID:	139891
PubChem CID:	52613257
Reduced:	FON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	465.173166
ΔH_f, kcal/mol:	-0.08
Dipole, Da:	1.85
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCCNC(=O)[C@@H]2C[C@@H]2C3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations