Geometry & MOs

Info

ID:	189761
PubChem CID:	77901757
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	316.139862
ΔH_f, kcal/mol:	-44.24
Dipole, Da:	4.82
IP(EA), eV:	-8.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propyl-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(C(=O)N=C1C)C(=O)N2CCCCC2C3=CC=C(C=C3)CN(C)C

DOS

IR

Vibrations