Geometry & MOs

Info

ID:	328127
PubChem CID:	126692173
Reduced:	O4N5F6C33H33 (1)
Stoich.:	A4B5C6D33E33 (1)
Weight, g/mol:	398.221895
ΔH_f, kcal/mol:	-386.48
Dipole, Da:	6.64
IP(EA), eV:	-8.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(5-tert-butylpyrazin-2-yl)-3H-benzimidazol-5-yl]-2-(propylideneamino)aniline

Drug info:

PubChemData

Smile

CC1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)CCC(=O)N4CCC4)OC)N5CCC5)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations