Geometry & MOs

Info

ID:	205318
PubChem CID:	80085540
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-83.33
Dipole, Da:	4.74
IP(EA), eV:	-8.95(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-(5-methyl-2-nitrophenyl)azetidin-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations