Geometry & MOs

Info

ID:	2386
PubChem CID:	7184
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-125.19
Dipole, Da:	3.19
IP(EA), eV:	-9.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-hydroxybenzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)O

DOS

IR

Vibrations