Geometry & MOs

Info

ID:	126387
PubChem CID:	50962967
Reduced:	OSN4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	69.17
Dipole, Da:	6.66
IP(EA), eV:	-8.5(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyridin-3-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC(=O)N(CC=C)CC#C

DOS

IR

Vibrations