Geometry & MOs

Info

ID:	180166
PubChem CID:	76587667
Reduced:	O4N5C28H33 (1)
Stoich.:	A4B5C28D33 (1)
Weight, g/mol:	244.203845
ΔH_f, kcal/mol:	-50.78
Dipole, Da:	2.49
IP(EA), eV:	-7.42(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-2,4-dimethyl-6-(2-methylbutan-2-yl)oxane

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C3(CC(CC2(O3)C)C4=NC(=C(C=C4)NC(=O)C5=NC=C(N5)C#N)C6=CCCCC6)C)C

DOS

IR

Vibrations