Geometry & MOs

Info

ID:	320523
PubChem CID:	126661577
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	454.149718
ΔH_f, kcal/mol:	16.59
Dipole, Da:	3.78
IP(EA), eV:	-7.68(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-oxoethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(CC1C2CCC=C(C2)O)C3=C4CCNC4NC=C3

DOS

IR

Vibrations