Geometry & MOs

Info

ID:	426596
PubChem CID:	135151600
Reduced:	O2F3N7H24C27 (1)
Stoich.:	A2B3C7D24E27 (1)
Weight, g/mol:	535.194358
ΔH_f, kcal/mol:	-97.94
Dipole, Da:	10.69
IP(EA), eV:	-9.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=NC2=CC=CC=C2C=C1C3=CN=C(N3)[C@@H]4CNCCN4C(=O)CN5C6=CC=CC=C6N=C5C(F)(F)F

DOS

IR

Vibrations