Geometry & MOs

Info

ID:	366689
PubChem CID:	127320218
Reduced:	OSN6C18H24 (1)
Stoich.:	ABC6D18E24 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	9.84
Dipole, Da:	0.96
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)C(C)N3CCN(CC3)CC4=NC=CN4)C

DOS

IR

Vibrations