Geometry & MOs

Info

ID:	375097
PubChem CID:	131465929
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-54.04
Dipole, Da:	2.28
IP(EA), eV:	-9.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-5-tert-butyl-1,2-oxazole-3-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1C2=C(CCN1)N=CC=C2

DOS

IR

Vibrations