Geometry & MOs

Info

ID:	348016
PubChem CID:	127273078
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-71.14
Dipole, Da:	3.99
IP(EA), eV:	-9.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCC(CC2)CC(=O)N3CCCC3

DOS

IR

Vibrations