Geometry & MOs

Info

ID:	240268
PubChem CID:	93576742
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	2.39
IP(EA), eV:	-8.98(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)CC(C)C)C2=NC3=CC=CC=C3N2CC(=O)NC[C@@H]4CCCO4

DOS

IR

Vibrations