Geometry & MOs

Info

ID:	240019
PubChem CID:	93575793
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	3.59
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations