Geometry & MOs

Info

ID:	355929
PubChem CID:	127290781
Reduced:	O2N7C18H31 (1)
Stoich.:	A2B7C18D31 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-36.92
Dipole, Da:	5.74
IP(EA), eV:	-8.77(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)CCN3C=CN=N3

DOS

IR

Vibrations