Geometry & MOs

Info

ID:	257280
PubChem CID:	103144884
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-60.02
Dipole, Da:	7.77
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC2CCCOCC2

DOS

IR

Vibrations