Geometry & MOs

Info

ID:	405819
PubChem CID:	135075579
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-52.96
Dipole, Da:	3.15
IP(EA), eV:	-9.74(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one

Drug info:

PubChemData

Smile

CCCCC1=NC(=CC=C1)C(CC)O

DOS

IR

Vibrations