Geometry & MOs

Info

ID:	447549
PubChem CID:	135283771
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	186.198365
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	5.68
IP(EA), eV:	-8.51(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methylprop-1-ene

Drug info:

PubChemData

Smile

C.CC1=C(C=CC(=C1)N)C2=C(C(=C(C(=C2N)CC3CO3)CC4CO4)CC5CO5)CC6CO6

DOS

IR

Vibrations