Geometry & MOs

Info

ID:	153595
PubChem CID:	56312853
Reduced:	FO3N4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	465.215173
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	7.66
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CN=CC=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations