Geometry & MOs

Info

ID:	448273
PubChem CID:	135289812
Reduced:	ClF4N4H5C12 (1)
Stoich.:	AB4C4D5E12 (1)
Weight, g/mol:	309.128883
ΔH_f, kcal/mol:	-103.88
Dipole, Da:	1.37
IP(EA), eV:	-9.59(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C1=CC2=NC=C(N2C=C1C(F)(F)F)C3=NC(=NC=C3F)Cl

DOS

IR

Vibrations