Geometry & MOs

Info

ID:	288429
PubChem CID:	104316533
Reduced:	SO4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-172.31
Dipole, Da:	7.24
IP(EA), eV:	-9.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-hydroxybutoxy)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C(=O)O)OCCC(C)O

DOS

IR

Vibrations