Geometry & MOs

Info

ID:	365150
PubChem CID:	127316954
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	3.67
IP(EA), eV:	-8.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclobutylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C(=NC=N2)NCCN3C(=O)CNC3=O

DOS

IR

Vibrations