Geometry & MOs

Info

ID:	78385
PubChem CID:	49689352
Reduced:	SO4N5C18H27 (1)
Stoich.:	AB4C5D18E27 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-139.85
Dipole, Da:	10.17
IP(EA), eV:	-9.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2CCN(CC2)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations