Geometry & MOs

Info

ID:	148840
PubChem CID:	53788509
Reduced:	BrOC20H29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	254.115424
ΔH_f, kcal/mol:	-62.93
Dipole, Da:	3.35
IP(EA), eV:	-8.63(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-but-3-ynyl 2-O-[(3-propyloxetan-3-yl)methyl] oxalate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2CCCCC2)OC3=CC=C(C=C3)CBr

DOS

IR

Vibrations