Geometry & MOs

Info

ID:	205324
PubChem CID:	80086448
Reduced:	O2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	29.83
Dipole, Da:	4.76
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])N(C)C2CNC2

DOS

IR

Vibrations