Geometry & MOs

Info

ID:	429965
PubChem CID:	135170020
Reduced:	IOSN6H17C23 (1)
Stoich.:	ABCD6E17F23 (1)
Weight, g/mol:	274.214409
ΔH_f, kcal/mol:	113.16
Dipole, Da:	3.64
IP(EA), eV:	-8.86(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-trimethylbutan-2-yl 2-tert-butylperoxy-2-methylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(N=C2)N(C=C3C4=CC5=CC(=CN=C5C=C4)N)SI

DOS

IR

Vibrations