Geometry & MOs

Info

ID:	44111
PubChem CID:	10500717
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-116.42
Dipole, Da:	6.23
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1CC2=C(CC1=O)C=C(C=C2)OCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations