Geometry & MOs

Info

ID:	290102
PubChem CID:	104408493
Reduced:	ClFON3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	297.088019
ΔH_f, kcal/mol:	-73.33
Dipole, Da:	2.73
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)NC2=C(C=C(C=N2)Cl)F

DOS

IR

Vibrations