Geometry & MOs

Info

ID:	426788
PubChem CID:	135153869
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-49.68
Dipole, Da:	7.67
IP(EA), eV:	-8.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methylbutan-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene

Drug info:

PubChemData

Smile

COC(=O)C1CCC(CC1)NC2=C(C=C(C=C2)C#N)N

DOS

IR

Vibrations