Geometry & MOs

Info

ID:	85941
PubChem CID:	49880346
Reduced:	ClO2F3N3H22C23 (1)
Stoich.:	AB2C3D3E22F23 (1)
Weight, g/mol:	241.056622
ΔH_f, kcal/mol:	-198.34
Dipole, Da:	10.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755491
Charge, e:	-1

Chem-info

IUPAC name:

2-[(2-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole;chloride

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC=C3C(=O)O)C(F)(F)F.[Cl-]

DOS

IR

Vibrations