Geometry & MOs

Info

ID:	438700
PubChem CID:	135228451
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	415.178358
ΔH_f, kcal/mol:	-155.4
Dipole, Da:	2.5
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CO)OC)C(=O)OC

DOS

IR

Vibrations