Geometry & MOs

Info

ID:	22732
PubChem CID:	598420
Reduced:	ON2H6C10 (1)
Stoich.:	AB2C6D10 (1)
Weight, g/mol:	170.048013
ΔH_f, kcal/mol:	58.0
Dipole, Da:	5.16
IP(EA), eV:	-9.7(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-oxazol-2-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=NC=CO2

DOS

IR

Vibrations