Geometry & MOs

Info

ID:	288732
PubChem CID:	104324578
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-19.16
Dipole, Da:	5.21
IP(EA), eV:	-9.23(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-2-hydroxypropoxy)-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC1NCC(COC2=C(OC3=CC=CC=C32)C#N)O

DOS

IR

Vibrations