Geometry & MOs

Info

ID:	196593
PubChem CID:	78851912
Reduced:	FSO3N5C21H24 (1)
Stoich.:	ABC3D5E21F24 (1)
Weight, g/mol:	415.201968
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	9.36
IP(EA), eV:	-8.87(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N(C)C)N(C)C

DOS

IR

Vibrations