Geometry & MOs

Info

ID:	401991
PubChem CID:	135053730
Reduced:	BO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	283.082013
ΔH_f, kcal/mol:	-132.09
Dipole, Da:	2.71
IP(EA), eV:	-8.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C/C)/C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations