Geometry & MOs

Info

ID:	22543
PubChem CID:	597640
Reduced:	O2H14C15 (1)
Stoich.:	A2B14C15 (1)
Weight, g/mol:	226.09938
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	2.06
IP(EA), eV:	-9.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CC2=CC=CC=C2

DOS

IR

Vibrations