Geometry & MOs

Info

ID:	8770
PubChem CID:	81325
Reduced:	O3C9H10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	166.062994
ΔH_f, kcal/mol:	-109.12
Dipole, Da:	0.82
IP(EA), eV:	-10.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(hydroxymethyl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CO

DOS

IR

Vibrations