Geometry & MOs

Info

ID:	159150
PubChem CID:	57261351
Reduced:	SO3N5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	211.060884
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	4.23
IP(EA), eV:	-9.14(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,6-trifluoro-2-methylphenyl)pyrrole

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)NC2=CC=CC3=C2C(=CC(=N3)C4=CC=CC=C4)NC(=NC=O)N

DOS

IR

Vibrations