Geometry & MOs

Info

ID:	205323
PubChem CID:	80085708
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-48.16
Dipole, Da:	8.1
IP(EA), eV:	-9.46(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(5-methyl-2-nitrophenyl)azetidin-3-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations