Geometry & MOs

Info

ID:	371715
PubChem CID:	131270948
Reduced:	SN4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	76.73
Dipole, Da:	2.95
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(2,5-dimethyl-1,3-oxazol-4-yl)butanenitrile

Drug info:

PubChemData

Smile

CSC1=NC=CC(=N1)C(C#N)N

DOS

IR

Vibrations