Geometry & MOs

Info

ID:	364947
PubChem CID:	127316597
Reduced:	ClON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	23.74
Dipole, Da:	4.18
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-[1-(6-ethoxypyridazin-3-yl)-5-methylpyrazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4Cl

DOS

IR

Vibrations