Geometry & MOs

Info

ID:	198320
PubChem CID:	79086083
Reduced:	ON5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	42.12
Dipole, Da:	6.11
IP(EA), eV:	-9.26(-0.33)
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)-2-cyclobutylethanol

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCNCC2C#N

DOS

IR

Vibrations