Geometry & MOs

Info

ID:	375040
PubChem CID:	131465301
Reduced:	INO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	181.085127
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	1.76
IP(EA), eV:	-8.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(4-methyl-5-oxo-2H-1,2-oxazol-3-yl)butanenitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)[C@@H]2COCCN2)I

DOS

IR

Vibrations