Geometry & MOs

Info

ID:	257329
PubChem CID:	103145316
Reduced:	ClO3N4H11C13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	11.0
Dipole, Da:	7.68
IP(EA), eV:	-9.57(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-2-pyrrolidin-3-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)C2=NN=C(C=C2)Cl

DOS

IR

Vibrations