Geometry & MOs

Info

ID:	257354
PubChem CID:	103145422
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	6.45
IP(EA), eV:	-9.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azetidin-3-yl)-N-(2,5-dimethyl-4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)CNC

DOS

IR

Vibrations