Geometry & MOs

Info

ID:	71661
PubChem CID:	48415169
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	26.78
Dipole, Da:	3.88
IP(EA), eV:	-9.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations