Geometry & MOs

Info

ID:	226026
PubChem CID:	87246637
Reduced:	SN2F3O3C10H17 (1)
Stoich.:	AB2C3D3E10F17 (1)
Weight, g/mol:	540.250333
ΔH_f, kcal/mol:	-274.79
Dipole, Da:	19.2
IP(EA), eV:	-9.9(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

CCCCC1=CNC(=[N+]1C)C.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations