Geometry & MOs

Info

ID:	305872
PubChem CID:	124972114
Reduced:	BrFN3O3H19C22 (1)
Stoich.:	ABC3D3E19F22 (1)
Weight, g/mol:	360.169859
ΔH_f, kcal/mol:	-80.23
Dipole, Da:	8.14
IP(EA), eV:	-9.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[2-[(6-methylpyridin-2-yl)amino]pyridin-4-yl]pyrrolidin-1-yl]-pyridazin-3-ylmethanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=NC=C(C(=N2)COC3=CC=C(C=C3)F)C(=O)O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations