Geometry & MOs

Info

ID:	339110
PubChem CID:	127260367
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	304.109944
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	2.19
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzyl-2-hydroxyphenyl) benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations