Geometry & MOs

Info

ID:	78654
PubChem CID:	49703430
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	450.153934
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	3.43
IP(EA), eV:	-8.95(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzodioxol-5-yl)-2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations