Geometry & MOs

Info

ID:	374796
PubChem CID:	131345214
Reduced:	ClSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	123.043262
ΔH_f, kcal/mol:	-53.35
Dipole, Da:	2.84
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(1,2-oxazol-5-yl)acetonitrile

Drug info:

PubChemData

Smile

CCOC1=C(SC2=C(C=CC=C12)CCl)OC

DOS

IR

Vibrations