Geometry & MOs

Info

ID:	379542
PubChem CID:	134442768
Reduced:	NH35C45 (1)
Stoich.:	AB35C45 (1)
Weight, g/mol:	351.144613
ΔH_f, kcal/mol:	157.72
Dipole, Da:	1.79
IP(EA), eV:	-8.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(C1)C3=CC=CC=C3C4=C(C5=CC=CC=C5C=C24)N(C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9

DOS

IR

Vibrations