Geometry & MOs

Info

ID:	337094
PubChem CID:	127256659
Reduced:	O3C19H32 (1)
Stoich.:	A3B19C32 (1)
Weight, g/mol:	308.235145
ΔH_f, kcal/mol:	-163.61
Dipole, Da:	1.99
IP(EA), eV:	-8.7(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylheptyl 3-(2H-pyran-2-yl)propanoate

Drug info:

PubChemData

Smile

CCCCCC(CC)COC(=O)CCCCC1C=CC=CO1

DOS

IR

Vibrations