Geometry & MOs

Info

ID:	371626
PubChem CID:	131269168
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	318.175087
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	3.63
IP(EA), eV:	-9.02(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C=O)CN2CCC(C2)O

DOS

IR

Vibrations