Geometry & MOs

Info

ID:	367657
PubChem CID:	127325186
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-106.51
Dipole, Da:	2.01
IP(EA), eV:	-9.48(-0.16)
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-(4,5-dimethyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2C(C1)OCCN2C(=O)C(=O)NC3CC3

DOS

IR

Vibrations