Geometry & MOs

Info

ID:	198325
PubChem CID:	79087873
Reduced:	FNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-81.85
Dipole, Da:	5.26
IP(EA), eV:	-9.16(0.05)
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)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(CN(C)C)O

DOS

IR

Vibrations