Geometry & MOs

Info

ID:	337059
PubChem CID:	127256624
Reduced:	OC7H12 (3)
Stoich.:	AB7C12 (3)
Weight, g/mol:	308.235145
ΔH_f, kcal/mol:	-172.34
Dipole, Da:	2.07
IP(EA), eV:	-8.88(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pentylheptyl 2-(2H-pyran-2-yl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations