Geometry & MOs

Info

ID:	79459
PubChem CID:	49754946
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-111.52
Dipole, Da:	5.54
IP(EA), eV:	-9.15(-0.97)
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-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCOCC2)C(=O)NCC3CCN(CC3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations