Geometry & MOs

Info

ID:	78384
PubChem CID:	49689351
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	409.178376
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	6.4
IP(EA), eV:	-9.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2(CCOCC2)C3=CC=CC=C3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations