Geometry & MOs

Info

ID:	136103
PubChem CID:	51978816
Reduced:	ClON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	266.082205
ΔH_f, kcal/mol:	-34.41
Dipole, Da:	6.84
IP(EA), eV:	-8.76(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-1-[[(2S)-oxolan-2-yl]methyl]benzimidazol-2-yl]methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations