Geometry & MOs

Info

ID:	390949
PubChem CID:	135001736
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-79.72
Dipole, Da:	3.27
IP(EA), eV:	-9.88(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(E)-3-acetyloxyprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CN(N=C1)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations