Geometry & MOs

Info

ID:	256949
PubChem CID:	103142602
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	282.138658
ΔH_f, kcal/mol:	-40.6
Dipole, Da:	6.19
IP(EA), eV:	-9.46(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-5-methyloxolane

Drug info:

PubChemData

Smile

C1COC(CN1C2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-])CO

DOS

IR

Vibrations