Geometry & MOs

Info

ID:	78380
PubChem CID:	49689294
Reduced:	SO2N6C18H18 (1)
Stoich.:	AB2C6D18E18 (1)
Weight, g/mol:	384.135304
ΔH_f, kcal/mol:	40.6
Dipole, Da:	2.74
IP(EA), eV:	-9.65(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=CC3=NSN=C3C=C2)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations