Geometry & MOs

Info

ID:	365093
PubChem CID:	127316835
Reduced:	ClON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	364.129315
ΔH_f, kcal/mol:	14.08
Dipole, Da:	5.58
IP(EA), eV:	-8.66(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylethanone

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1C2=CC=CC=C2Cl)C(=O)N3CC4CCCN4CC3C

DOS

IR

Vibrations