Geometry & MOs

Info

ID:	372054
PubChem CID:	131291550
Reduced:	N3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	188.058578
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	8.82
IP(EA), eV:	-9.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-hydroxy-1,3-benzoxazol-2-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN2C=C(C(=N2)C(=O)O)O

DOS

IR

Vibrations