Geometry & MOs

Info

ID:	198331
PubChem CID:	79089322
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	3.09
IP(EA), eV:	-8.27(2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(C1CN2CCCC2CO1)NC

DOS

IR

Vibrations