Geometry & MOs

Info

ID:	55213
PubChem CID:	17389905
Reduced:	N2O2F3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	400.14818
ΔH_f, kcal/mol:	-225.93
Dipole, Da:	3.68
IP(EA), eV:	-9.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-(pyrrolidin-2-ylmethyl)aniline;oxalic acid

Drug info:

PubChemData

Smile

C1CC(=O)NC1C(=O)NC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations