Geometry & MOs

Info

ID:	71311
PubChem CID:	48414605
Reduced:	FN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-28.46
Dipole, Da:	4.53
IP(EA), eV:	-8.75(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-but-3-ynylpiperazine-1-carbonyl)-2-(2-phenoxyethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=CC=C(O2)C3=CC=CC=C3F

DOS

IR

Vibrations