Geometry & MOs

Info

ID:	371951
PubChem CID:	131282109
Reduced:	OSN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	167.069477
ΔH_f, kcal/mol:	-13.2
Dipole, Da:	3.49
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CSC(=C1C#N)N2CCC(CC2)O

DOS

IR

Vibrations