Geometry & MOs

Info

ID:	349436
PubChem CID:	127275223
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	8.02
Dipole, Da:	5.67
IP(EA), eV:	-8.54(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCCC3C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations