Geometry & MOs

Info

ID:	445616
PubChem CID:	135268550
Reduced:	FPO3N5H23C24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	437.202717
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	5.79
IP(EA), eV:	-8.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-7-[4-[3-(1,1-difluoroethyl)-2,3-dihydropyridin-6-yl]piperazin-1-yl]furo[2,3-d]pyridazine

Drug info:

PubChemData

Smile

COC1=NC=CN=C1C(C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)P)O

DOS

IR

Vibrations