Geometry & MOs

Info

ID:	435733
PubChem CID:	135192268
Reduced:	ON9C26H31 (1)
Stoich.:	AB9C26D31 (1)
Weight, g/mol:	230.188195
ΔH_f, kcal/mol:	155.38
Dipole, Da:	3.78
IP(EA), eV:	-8.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-4-propan-2-yloxybutan-2-yl)oxyoxane

Drug info:

PubChemData

Smile

CC1=C(N=C(C2=NC=CN12)NC\3C=CC/C=C(\C=C3)/N4CCN(CC4)C5COC5)C6=CN=CC(=N6)N

DOS

IR

Vibrations