Geometry & MOs

Info

ID:	326856
PubChem CID:	126688420
Reduced:	F3N4O5H17C21 (1)
Stoich.:	A3B4C5D17E21 (1)
Weight, g/mol:	490.18279
ΔH_f, kcal/mol:	-277.55
Dipole, Da:	2.49
IP(EA), eV:	-8.87(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CC(=O)O

DOS

IR

Vibrations