Geometry & MOs

Info

ID:	71312
PubChem CID:	48414606
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	4.59
Dipole, Da:	3.92
IP(EA), eV:	-8.92(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

DOS

IR

Vibrations