Geometry & MOs

Info

ID:	136867
PubChem CID:	52115692
Reduced:	FO3N5C22H28 (1)
Stoich.:	AB3C5D22E28 (1)
Weight, g/mol:	459.228183
ΔH_f, kcal/mol:	-127.7
Dipole, Da:	5.6
IP(EA), eV:	-9.13(-1.09)
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-(3-methoxypropyl)acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CCN(CC1)C(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations