Geometry & MOs

Info

ID:	426595
PubChem CID:	135151410
Reduced:	ON4C9H10 (2)
Stoich.:	AB4C9D10 (2)
Weight, g/mol:	535.194358
ΔH_f, kcal/mol:	33.95
Dipole, Da:	6.4
IP(EA), eV:	-8.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)[C@@H]5CCCOC5

DOS

IR

Vibrations