Geometry & MOs

Info

ID:	337065
PubChem CID:	127256630
Reduced:	O2C7H7 (2)
Stoich.:	A2B7C7 (2)
Weight, g/mol:	308.235145
ΔH_f, kcal/mol:	-110.73
Dipole, Da:	4.04
IP(EA), eV:	-9.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentyloctyl 2H-pyran-2-carboxylate

Drug info:

PubChemData

Smile

C1C=C(C=CC1=O)CCOC(=O)C2C=CC=CO2

DOS

IR

Vibrations