Geometry & MOs

Info

ID:	365266
PubChem CID:	127317611
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	394.16166
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	2.6
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations