Geometry & MOs

Info

ID:	136099
PubChem CID:	51978812
Reduced:	ClON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	292.134241
ΔH_f, kcal/mol:	-35.5
Dipole, Da:	6.08
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-butan-2-yl]-6-chloro-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole

Drug info:

PubChemData

Smile

CC[C@H](C)C1=NC2=C(N1C[C@H]3CCCO3)C=CC(=C2)Cl

DOS

IR

Vibrations