Geometry & MOs

Info

ID:	344647
PubChem CID:	127268232
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	73.58
Dipole, Da:	5.05
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC3=CC=CC=C3O2)C4=NN=CC=C4

DOS

IR

Vibrations