Geometry & MOs

Info

ID:	257345
PubChem CID:	103145389
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	9.88
IP(EA), eV:	-9.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethyl-4-nitrophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)NC1=C(C=C(C(=C1)C)[N+](=O)[O-])C)N

DOS

IR

Vibrations