Geometry & MOs

Info

ID:	365078
PubChem CID:	127316820
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-30.48
Dipole, Da:	4.32
IP(EA), eV:	-8.8(0.13)
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-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC(=CN3C)Cl

DOS

IR

Vibrations