Geometry & MOs

Info

ID:	399040
PubChem CID:	135037240
Reduced:	IO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	110.151582
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	1.48
IP(EA), eV:	-8.92(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,5,5,5-heptadeuterio-4-(trideuteriomethyl)pent-3-en-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CI)OC/C=C\CO

DOS

IR

Vibrations