Geometry & MOs

Info

ID:	365060
PubChem CID:	127316774
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-20.68
Dipole, Da:	4.88
IP(EA), eV:	-8.57(0.58)
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-methyl-3-propan-2-ylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CNC=C3

DOS

IR

Vibrations