Geometry & MOs

Info

ID:	248027
PubChem CID:	103078308
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	30.5
Dipole, Da:	4.08
IP(EA), eV:	-8.2(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCOC2=CC=CC=C2)N

DOS

IR

Vibrations