Geometry & MOs

Info

ID:	245567
PubChem CID:	99453895
Reduced:	FN3O3H20C26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	397.227789
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	6.56
IP(EA), eV:	-9.12(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)O[C@H](C3)C4=CC=CC=C4)C5=CC=CC=C5F

DOS

IR

Vibrations