Geometry & MOs

Info

ID:	82046
PubChem CID:	49855521
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	483.140591
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	0.74
IP(EA), eV:	-9.28(-0.98)
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-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(C)C)C4=NN=C(C=C4)C)OC

DOS

IR

Vibrations