Geometry & MOs

Info

ID:	224528
PubChem CID:	85344468
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	4.81
IP(EA), eV:	-9.57(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-methyl-6,8-dioxabicyclo[3.2.1]octan-2-ol

Drug info:

PubChemData

Smile

CC(=O)N1CC=CC1CC(=O)N

DOS

IR

Vibrations