Geometry & MOs

Info

ID:	196594
PubChem CID:	78851913
Reduced:	FO3N5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	4.84
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)CC(=O)N4CCOCC4

DOS

IR

Vibrations