Geometry & MOs

Info

ID:	78374
PubChem CID:	49689244
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-67.54
Dipole, Da:	7.85
IP(EA), eV:	-9.27(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)C(=O)NCC2CCN(CC2)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations