Geometry & MOs

Info

ID:	340430
PubChem CID:	127262441
Reduced:	O3C21H34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-168.97
Dipole, Da:	3.56
IP(EA), eV:	-8.86(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hexoxyphenyl)methyl acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=CC=CC(=C1)COC(=O)C

DOS

IR

Vibrations