Geometry & MOs

Info

ID:	43500
PubChem CID:	10321394
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	4.32
IP(EA), eV:	-9.44(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-4-(3-cyclopentyloxy-4-methoxyanilino)-2-ethyl-6-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@H]([C@H]([C@@H](CN=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations