Geometry & MOs

Info

ID:	357771
PubChem CID:	127294558
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	367.146283
ΔH_f, kcal/mol:	-211.86
Dipole, Da:	3.96
IP(EA), eV:	-8.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-fluoro-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CNC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4)O

DOS

IR

Vibrations