Geometry & MOs

Info

ID:	368510
PubChem CID:	127329322
Reduced:	ClON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	397.149384
ΔH_f, kcal/mol:	39.0
Dipole, Da:	5.95
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=NN(C(=N3)C4CC4)C5=CC=CC=C5Cl

DOS

IR

Vibrations