Geometry & MOs

Info

ID:	351567
PubChem CID:	127280459
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-96.39
Dipole, Da:	5.47
IP(EA), eV:	-8.79(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-6-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations