Geometry & MOs

Info

ID:	340432
PubChem CID:	127262443
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-149.57
Dipole, Da:	2.77
IP(EA), eV:	-8.84(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butoxyphenyl)methyl acetate

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=CC(=C1)COC(=O)C

DOS

IR

Vibrations