Geometry & MOs

Info

ID:	414185
PubChem CID:	135087141
Reduced:	O2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	284.122892
ΔH_f, kcal/mol:	-62.47
Dipole, Da:	3.18
IP(EA), eV:	-8.45(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(1,1-dideuterio-4-hydroxybut-2-ynyl)-2-(5-hydroxypent-3-ynyl)propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations