Geometry & MOs

Info

ID:	337066
PubChem CID:	127256631
Reduced:	O3C19H32 (1)
Stoich.:	A3B19C32 (1)
Weight, g/mol:	308.235145
ΔH_f, kcal/mol:	-153.9
Dipole, Da:	2.61
IP(EA), eV:	-9.01(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylheptyl 6-(2H-pyran-2-yl)hexanoate

Drug info:

PubChemData

Smile

CCCCCCC(CCCCC)COC(=O)C1C=CC=CO1

DOS

IR

Vibrations