Geometry & MOs

Info

ID:	216197
PubChem CID:	85085871
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	240.20893
ΔH_f, kcal/mol:	-70.79
Dipole, Da:	1.86
IP(EA), eV:	-9.02(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hexyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine

Drug info:

PubChemData

Smile

CC(=NOCC1CNCCO1)C2CCCCC2

DOS

IR

Vibrations