Geometry & MOs

Info

ID:	372266
PubChem CID:	131295178
Reduced:	Cl2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	178.071783
ΔH_f, kcal/mol:	-122.51
Dipole, Da:	2.11
IP(EA), eV:	-9.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2,2-trifluoroethyl)pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C(C1=CC(=C(C=C1)Cl)C(=O)OC)Cl

DOS

IR

Vibrations