Geometry & MOs

Info

ID:	273869
PubChem CID:	103805521
Reduced:	N2O2F3C13H17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-228.01
Dipole, Da:	2.55
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCNCC1=CC(=CC=C1)NC(=O)COCC(F)(F)F

DOS

IR

Vibrations