Geometry & MOs

Info

ID:	198337
PubChem CID:	79089515
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	-13.02
Dipole, Da:	6.66
IP(EA), eV:	-8.96(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboximidate

Drug info:

PubChemData

Smile

CNC(CC1=CC=NC=C1)C2CN3CCCC3CO2

DOS

IR

Vibrations