Geometry & MOs

Info

ID:	339590
PubChem CID:	127261580
Reduced:	O2C15H28 (1)
Stoich.:	A2B15C28 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-157.19
Dipole, Da:	2.2
IP(EA), eV:	-10.62(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxyphenyl)methyl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1CC(CC(C1)(C)C)C

DOS

IR

Vibrations