Geometry & MOs

Info

ID:	200241
PubChem CID:	79369984
Reduced:	IN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	241.092578
ΔH_f, kcal/mol:	-98.88
Dipole, Da:	4.0
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-(trifluoromethoxy)ethyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCN1CC(=O)NC2=CC(=CC=C2)I)C(=O)O

DOS

IR

Vibrations