Geometry & MOs

Info

ID:	364946
PubChem CID:	127316596
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	344.140389
ΔH_f, kcal/mol:	-93.15
Dipole, Da:	2.85
IP(EA), eV:	-8.5(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-cyclobutylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations