Geometry & MOs

Info

ID:	142229
PubChem CID:	53003224
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	464.197217
ΔH_f, kcal/mol:	24.62
Dipole, Da:	4.35
IP(EA), eV:	-8.76(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=CC(=O)N3C(=N2)N=C(N3)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations