Geometry & MOs

Info

ID:	198329
PubChem CID:	79089268
Reduced:	BrON4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	240.220164
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	2.58
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N,4-dimethylpentan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2CN3CCCC3CO2)NC)Br

DOS

IR

Vibrations