Geometry & MOs

Info

ID:	82045
PubChem CID:	49855520
Reduced:	NOF2H5C8 (3)
Stoich.:	ABC2D5E8 (3)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	-321.77
Dipole, Da:	2.71
IP(EA), eV:	-9.61(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-(4-methylbenzoyl)-1-(6-methylpyridazin-3-yl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(F)(F)F)/O)/C(=O)C2=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations