Geometry & MOs

Info

ID:	430585
PubChem CID:	135170651
Reduced:	BrNOC8H12 (1)
Stoich.:	ABCD8E12 (1)
Weight, g/mol:	164.094963
ΔH_f, kcal/mol:	-9.31
Dipole, Da:	2.16
IP(EA), eV:	-9.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(C)(C)C)Br

DOS

IR

Vibrations