Geometry & MOs

Info

ID:	373007
PubChem CID:	131308546
Reduced:	ON2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	151.074562
ΔH_f, kcal/mol:	24.79
Dipole, Da:	6.14
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-1,2-oxazol-3-yl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=C(C=C1)OC(=C2)C#N)N

DOS

IR

Vibrations