Geometry & MOs

Info

ID:	216514
PubChem CID:	85086351
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-140.93
Dipole, Da:	2.11
IP(EA), eV:	-9.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] benzoate

Drug info:

PubChemData

Smile

CC(=O)CCC(C=CC(=O)OC)OCC1=CC=CC=C1

DOS

IR

Vibrations