Geometry & MOs

Info

ID:	19361
PubChem CID:	562732
Reduced:	NO2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	4.07
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethylbenzimidazol-1-yl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)O

DOS

IR

Vibrations