Geometry & MOs

Info

ID:	136098
PubChem CID:	51978512
Reduced:	ClON2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	292.134241
ΔH_f, kcal/mol:	4.14
Dipole, Da:	3.2
IP(EA), eV:	-9.05(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-butan-2-yl]-5-chloro-1-[[(2R)-oxolan-2-yl]methyl]benzimidazole

Drug info:

PubChemData

Smile

CC[C@H](C)N1C2=C(C=CC(=C2)Cl)N=C1COC3=CC=CC=C3

DOS

IR

Vibrations