Geometry & MOs

Info

ID:	433021
PubChem CID:	135173158
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	244.203845
ΔH_f, kcal/mol:	-82.5
Dipole, Da:	1.61
IP(EA), eV:	-8.64(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-bis(2,2-dimethylpropyl)-1,3-dioxan-2-ol

Drug info:

PubChemData

Smile

CC(CSC(=O)CC1=CC=CC=C1N)O

DOS

IR

Vibrations