Geometry & MOs

Info

ID:	136104
PubChem CID:	51978817
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	301.09819
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	4.43
IP(EA), eV:	-9.0(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-(furan-2-ylmethyl)-2-[(2S)-pyrrolidin-2-yl]benzimidazole

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C3=C(C=C(C=C3)Cl)N=C2CO

DOS

IR

Vibrations