Geometry & MOs

Info

ID:	365007
PubChem CID:	127316657
Reduced:	ClON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	21.06
Dipole, Da:	4.41
IP(EA), eV:	-8.68(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butylpyrazol-4-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2=CC(=CC=C2)Cl)C(=O)N3CC4CCCN4CC3C

DOS

IR

Vibrations