Geometry & MOs

Info

ID:	338784
PubChem CID:	127259795
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-127.35
Dipole, Da:	1.01
IP(EA), eV:	-9.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxyheptyl 2-phenylacetate

Drug info:

PubChemData

Smile

CCOC(C)OC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations