Geometry & MOs

Info

ID:	348952
PubChem CID:	127274677
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-102.4
Dipole, Da:	4.82
IP(EA), eV:	-9.03(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations