Geometry & MOs

Info

ID:	71314
PubChem CID:	48414610
Reduced:	ON4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	9.56
Dipole, Da:	4.35
IP(EA), eV:	-8.76(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-but-3-ynylpiperazine-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations