Geometry & MOs

Info

ID:	399484
PubChem CID:	135040509
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	124.13704
ΔH_f, kcal/mol:	-71.99
Dipole, Da:	4.52
IP(EA), eV:	-9.08(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trideuterio-3-hydroperoxy-3-methyl-2-(trideuteriomethyl)butane

Drug info:

PubChemData

Smile

CN1C[C@@H]2CC(C1)C(N3C2=CC=CC3=O)O

DOS

IR

Vibrations