Geometry & MOs

Info

ID:	78368
PubChem CID:	49689197
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	324.135304
ΔH_f, kcal/mol:	-92.68
Dipole, Da:	7.51
IP(EA), eV:	-9.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CCOCC(=O)NCC1CCN(CC1)C(=O)C2=NC=CN=C2

DOS

IR

Vibrations