Geometry & MOs

Info

ID:	424179
PubChem CID:	135121631
Reduced:	O3N5H17C26 (1)
Stoich.:	A3B5C17D26 (1)
Weight, g/mol:	441.209264
ΔH_f, kcal/mol:	124.55
Dipole, Da:	5.43
IP(EA), eV:	-9.21(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2,5-bis(4-methylphenyl)-3-phenylpyrrol-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2C(=O)C3=CC(=CC=C3)[N+](=O)[O-])/N=C/C4=CC=C(C=C4)C5=CC=CC=N5

DOS

IR

Vibrations