Geometry & MOs

Info

ID:	364809
PubChem CID:	127316150
Reduced:	OSN8C13H20 (1)
Stoich.:	ABC8D13E20 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	67.71
Dipole, Da:	10.22
IP(EA), eV:	-9.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-1-yl-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations