Geometry & MOs

Info

ID:	381837
PubChem CID:	134972682
Reduced:	NO2C24H49 (1)
Stoich.:	AB2C24D49 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-156.75
Dipole, Da:	2.28
IP(EA), eV:	-8.89(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S,7R)-2-methyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

CCCCCCC(CC(C)C)ON1C(CC(CC1(CC)CC)O)(CC)CC

DOS

IR

Vibrations