Geometry & MOs

Info

ID:	371716
PubChem CID:	131270986
Reduced:	ON3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	179.105862
ΔH_f, kcal/mol:	-2.35
Dipole, Da:	4.19
IP(EA), eV:	-9.38(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-propan-2-yl-1,2-oxazol-4-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C)C(CC#N)CN

DOS

IR

Vibrations