Geometry & MOs

Info

ID:	364612
PubChem CID:	127315864
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	4.1
IP(EA), eV:	-9.27(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCOCC2(C)C)C

DOS

IR

Vibrations