Geometry & MOs

Info

ID:	339073
PubChem CID:	127260325
Reduced:	O3H14C17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	294.125594
ΔH_f, kcal/mol:	-62.25
Dipole, Da:	7.89
IP(EA), eV:	-9.67(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-5-(3-methylphenyl)-3-oxopent-4-enyl] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C(=O)C2=CC=CC=C2C(=O)O

DOS

IR

Vibrations