Geometry & MOs

Info

ID:	78690
PubChem CID:	49703753
Reduced:	FO3N6C24H27 (1)
Stoich.:	AB3C6D24E27 (1)
Weight, g/mol:	480.228517
ΔH_f, kcal/mol:	-82.19
Dipole, Da:	6.25
IP(EA), eV:	-9.06(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]oxyethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCOC1=NC=NC(=C1)N2CCCCC2)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations