Geometry & MOs

Info

ID:	435121
PubChem CID:	135181169
Reduced:	ClO3N4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	760.67922
ΔH_f, kcal/mol:	-33.76
Dipole, Da:	4.19
IP(EA), eV:	-8.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy]-2,2-bis[[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxymethyl]propane

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1OC)OC)Cl)C2=NC(=C3C=C(N=CC3=C2)N)N4CC(C4)OC

DOS

IR

Vibrations