Geometry & MOs

Info

ID:	430563
PubChem CID:	135170629
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	150.079313
ΔH_f, kcal/mol:	-42.53
Dipole, Da:	3.64
IP(EA), eV:	-9.6(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(5-methyl-1,2-oxazol-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CN1C(C(=CC1=O)C2=CC=CC=C2)O

DOS

IR

Vibrations