Geometry & MOs

Info

ID:	296504
PubChem CID:	117580057
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	0.71
IP(EA), eV:	-8.52(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1,3-dihydroxypropan-2-yl(methyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN(C)C(CO)CO)OC

DOS

IR

Vibrations