Geometry & MOs

Info

ID:	136100
PubChem CID:	51978813
Reduced:	ClON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	292.134241
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	5.01
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-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=C(C=C2)Cl

DOS

IR

Vibrations