Geometry & MOs

Info

ID:	22176
PubChem CID:	596158
Reduced:	O2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-128.05
Dipole, Da:	4.41
IP(EA), eV:	-9.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-hydroxy-3-propan-2-ylbenzoyl)benzoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C(=O)C2=CC=CC=C2C(=O)OC)O

DOS

IR

Vibrations