Geometry & MOs

Info

ID:	84772
PubChem CID:	49869784
Reduced:	F2O2N8H20C21 (1)
Stoich.:	A2B2C8D20E21 (1)
Weight, g/mol:	459.299811
ΔH_f, kcal/mol:	-32.78
Dipole, Da:	3.54
IP(EA), eV:	-8.72(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-ethyl-5-methyl-1-phenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N2C3=NC(=NC(=N3)NC4=CC=CC=N4)N5CCOCC5)C(F)F

DOS

IR

Vibrations