Geometry & MOs

Info

ID:	354088
PubChem CID:	127285892
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-75.87
Dipole, Da:	3.51
IP(EA), eV:	-9.24(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-methyl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CC=C1)CNC(=O)C(C2=CC=CC=C2)N3CCC(CC3)O

DOS

IR

Vibrations