Geometry & MOs

Info

ID:	240121
PubChem CID:	93576218
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	3.91
IP(EA), eV:	-9.12(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzimidazol-2-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCCC1=NC2=CC=CC=C2N1CC(=O)N[C@@H](C)C3=CC=CC=C3

DOS

IR

Vibrations