Geometry & MOs

Info

ID:	337060
PubChem CID:	127256625
Reduced:	O3C19H32 (1)
Stoich.:	A3B19C32 (1)
Weight, g/mol:	308.235145
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	1.92
IP(EA), eV:	-8.91(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propylheptyl 4-(2H-pyran-2-yl)butanoate

Drug info:

PubChemData

Smile

CCCCCC(CCCCC)COC(=O)CC1C=CC=CO1

DOS

IR

Vibrations