Geometry & MOs

Info

ID:	154367
PubChem CID:	56313784
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	400.171082
ΔH_f, kcal/mol:	-139.75
Dipole, Da:	1.43
IP(EA), eV:	-9.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-5-N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dihydropyrazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CCN(CC1)C(=O)C2=COC=C2)C3=CC=CC=C3F

DOS

IR

Vibrations