Geometry & MOs

Info

ID:	291831
PubChem CID:	113584963
Reduced:	ClOF2N3C11H14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	281.037875
ΔH_f, kcal/mol:	-113.87
Dipole, Da:	2.62
IP(EA), eV:	-9.05(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-chloro-4-(2,2-difluoroethylamino)-6-oxopyridazin-1-yl]acetate

Drug info:

PubChemData

Smile

C1CC(C1)CN2C(=O)C(=C(C=N2)Cl)NCC(F)F

DOS

IR

Vibrations