Geometry & MOs

Info

ID:	424176
PubChem CID:	135121617
Reduced:	NOH7C9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	427.193614
ΔH_f, kcal/mol:	27.55
Dipole, Da:	2.66
IP(EA), eV:	-8.57(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=N/C2=NC3=CC=CC=C3N2C(=O)C4=CC5=CC=CC=C5C=C4)OC

DOS

IR

Vibrations