Geometry & MOs

Info

ID:	136866
PubChem CID:	52115625
Reduced:	FO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	429.217618
ΔH_f, kcal/mol:	-88.95
Dipole, Da:	4.98
IP(EA), eV:	-9.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations