Geometry & MOs

Info

ID:	144801
PubChem CID:	53415522
Reduced:	NO3F5H14C20 (1)
Stoich.:	AB3C5D14E20 (1)
Weight, g/mol:	331.118399
ΔH_f, kcal/mol:	-320.7
Dipole, Da:	6.5
IP(EA), eV:	-9.68(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)C(F)(F)F)CC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations