Geometry & MOs

Info

ID:	121592
PubChem CID:	50774200
Reduced:	BrNO2H18C23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	463.07831
ΔH_f, kcal/mol:	16.62
Dipole, Da:	4.49
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(=C(C2=O)O)C3=CC=CC=C3)C4=CC=CC=C4Br

DOS

IR

Vibrations