Geometry & MOs

Info

ID:	365009
PubChem CID:	127316659
Reduced:	ClON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	19.27
Dipole, Da:	5.48
IP(EA), eV:	-8.65(-0.91)
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)-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NN1C2=CC=CC=C2Cl)C(=O)N3CC4CCCN4CC3C

DOS

IR

Vibrations