Geometry & MOs

Info

ID:	220641
PubChem CID:	85198125
Reduced:	NO6C17H29 (1)
Stoich.:	AB6C17D29 (1)
Weight, g/mol:	343.214744
ΔH_f, kcal/mol:	-311.76
Dipole, Da:	4.55
IP(EA), eV:	-9.86(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-benzyl-4-propyl-1,3-oxazinan-6-yl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol

Drug info:

PubChemData

Smile

CC=C(CC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations