Geometry & MOs

Info

ID:	198335
PubChem CID:	79089373
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	314.095269
ΔH_f, kcal/mol:	-14.65
Dipole, Da:	3.03
IP(EA), eV:	-8.63(0.0)
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)-1-(2,5-dichlorophenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CCNCC1=NC(=NC(=C1)C)C2CN3CCCC3CO2

DOS

IR

Vibrations