Geometry & MOs

Info

ID:	252150
PubChem CID:	103109438
Reduced:	Cl2O2N3C13H13 (1)
Stoich.:	A2B2C3D13E13 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-29.23
Dipole, Da:	3.68
IP(EA), eV:	-10.07(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2Cl)CCl

DOS

IR

Vibrations