Geometry & MOs

Info

ID:	240267
PubChem CID:	93576741
Reduced:	FON3C28H30 (1)
Stoich.:	ABC3D28E30 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-27.22
Dipole, Da:	3.36
IP(EA), eV:	-8.96(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1R)-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)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations