Geometry & MOs

Info

ID:	136864
PubChem CID:	52115229
Reduced:	N4O4C27H28 (1)
Stoich.:	A4B4C27D28 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-93.35
Dipole, Da:	6.24
IP(EA), eV:	-9.36(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]propanoyl]piperazin-1-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

DOS

IR

Vibrations