Geometry & MOs

Info

ID:	372493
PubChem CID:	131298614
Reduced:	NSO2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-6.6
Dipole, Da:	5.27
IP(EA), eV:	-9.2(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-[3-(oxetan-3-yloxy)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)C=CC(=O)O

DOS

IR

Vibrations