Geometry & MOs

Info

ID:	288737
PubChem CID:	104324698
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-65.44
Dipole, Da:	1.53
IP(EA), eV:	-9.29(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxolan-2-ylmethoxy)-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1COCCN1C(=O)COC2=C(OC3=CC=CC=C32)C#N

DOS

IR

Vibrations