Geometry & MOs

Info

ID:	189076
PubChem CID:	77812486
Reduced:	NO3C22H31 (1)
Stoich.:	AB3C22D31 (1)
Weight, g/mol:	594.277753
ΔH_f, kcal/mol:	-121.1
Dipole, Da:	3.95
IP(EA), eV:	-9.02(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylpentanamide;2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCCCCC2(C1C3=CC=CC=C3)C=CCO2

DOS

IR

Vibrations