Geometry & MOs

Info

ID:	385417
PubChem CID:	134979023
Reduced:	BS2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	111.115827
ΔH_f, kcal/mol:	-40.54
Dipole, Da:	1.24
IP(EA), eV:	-8.64(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-deuterio-2-methylhepta-1,5-diene

Drug info:

PubChemData

Smile

B(CC=C)(SCC)SCC

DOS

IR

Vibrations