Geometry & MOs

Info

ID:	328568
PubChem CID:	126725234
Reduced:	F3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	441.177645
ΔH_f, kcal/mol:	-302.6
Dipole, Da:	7.38
IP(EA), eV:	-9.72(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-fluoro-3-[6-[[(3S)-3-fluoro-4-(3-fluoropyridin-2-yl)butyl]amino]pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCCCC1(COC(OC1)(C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F)O)C

DOS

IR

Vibrations