Geometry & MOs

Info

ID:	129182
PubChem CID:	51071883
Reduced:	N3O3F6C22H25 (1)
Stoich.:	A3B3C6D22E25 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-459.92
Dipole, Da:	4.73
IP(EA), eV:	-9.75(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-propanoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations