Geometry & MOs

Info

ID:	126222
PubChem CID:	50955752
Reduced:	ClON8C15H21 (1)
Stoich.:	ABC8D15E21 (1)
Weight, g/mol:	346.159375
ΔH_f, kcal/mol:	58.49
Dipole, Da:	6.41
IP(EA), eV:	-9.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-ethylimidazol-4-yl)methyl]-5-(4-fluorophenyl)-4-phenylimidazole

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CN3C(=NN=N3)N

DOS

IR

Vibrations