Geometry & MOs

Info

ID:	224550
PubChem CID:	85344724
Reduced:	BPC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	145.15
Dipole, Da:	5.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755026
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2,5-trimethyl-1,3-dioxolan-4-yl)propyl acetate

Drug info:

PubChemData

Smile

[B-][P+]1(C=C(C(=C)C1C)C)C2=CC=CC=C2

DOS

IR

Vibrations