Geometry & MOs

Info

ID:	365105
PubChem CID:	127316847
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	4.38
IP(EA), eV:	-8.6(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=C(N(N=C3C)C)C

DOS

IR

Vibrations