Geometry & MOs

Info

ID:	240006
PubChem CID:	93575595
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	2.46
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H](C)C1=NC2=CC=CC=C2N1CC(=O)N[C@@H](C)CC

DOS

IR

Vibrations