Geometry & MOs

Info

ID:	295951
PubChem CID:	117548561
Reduced:	ClO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	2.61
IP(EA), eV:	-9.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(furan-2-yl)oxetan-3-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)(C(=O)OC)C1(COC1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations