Geometry & MOs

Info

ID:	365257
PubChem CID:	127317602
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	328.169939
ΔH_f, kcal/mol:	21.03
Dipole, Da:	2.5
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(C)C(=O)N3CCSC4=CC=CC=C43

DOS

IR

Vibrations