Geometry & MOs

Info

ID:	126015
PubChem CID:	50948494
Reduced:	SN4O4C14H18 (1)
Stoich.:	AB4C4D14E18 (1)
Weight, g/mol:	364.237545
ΔH_f, kcal/mol:	-92.05
Dipole, Da:	6.0
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]butan-2-yl]-4-methylpiperazine

Drug info:

PubChemData

Smile

COC(=O)[C@H]1C[C@H](CCN1CC2=CC=C(O2)SC3=NC=NN3)O

DOS

IR

Vibrations