Geometry & MOs

Info

ID:	365122
PubChem CID:	127316879
Reduced:	ClON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	397.149384
ΔH_f, kcal/mol:	14.73
Dipole, Da:	7.06
IP(EA), eV:	-8.59(-0.85)
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-thiophen-2-ylsulfonylpiperidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=NN(C(=N3)C(C)C)C4=CC=CC=C4Cl

DOS

IR

Vibrations