Geometry & MOs

Info

ID:	337921
PubChem CID:	127258544
Reduced:	SO3C18H22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-105.12
Dipole, Da:	1.82
IP(EA), eV:	-8.79(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylphenoxy)propyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)OC1=CC=C(C=C1)CC2=CC=CS2

DOS

IR

Vibrations