Geometry & MOs

Info

ID:	187500
PubChem CID:	77581151
Reduced:	IO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	428.16714
ΔH_f, kcal/mol:	-63.04
Dipole, Da:	5.03
IP(EA), eV:	-9.36(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]pyrrolidin-1-yl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2CCCC(C2(CC(=CC3=CC=CC=C3I)C1=O)C)O

DOS

IR

Vibrations