Geometry & MOs

Info

ID:	220505
PubChem CID:	85197628
Reduced:	O4C19H30 (1)
Stoich.:	A4B19C30 (1)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	-169.93
Dipole, Da:	3.79
IP(EA), eV:	-9.44(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-(cyclohexylmethyl)-7-hydroxy-3-(2-methylpropyl)-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

CC(=CCC(C)(C)COC1CCCCO1)CCC#CC(=O)OC

DOS

IR

Vibrations