Geometry & MOs

Info

ID:	84664
PubChem CID:	49869216
Reduced:	F2O2N8H18C19 (1)
Stoich.:	A2B2C8D18E19 (1)
Weight, g/mol:	503.165494
ΔH_f, kcal/mol:	-11.74
Dipole, Da:	4.58
IP(EA), eV:	-8.72(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(2-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N2C3=NC(=NC(=N3)N4C=CC=N4)N5CCOCC5)C(F)F

DOS

IR

Vibrations