Geometry & MOs

Info

ID:	261870
PubChem CID:	103256132
Reduced:	NO3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	265.095023
ΔH_f, kcal/mol:	-156.13
Dipole, Da:	1.9
IP(EA), eV:	-9.39(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,3-dihydroxypropylamino)methyl]-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)CNCC(C)(CC(C)C)O

DOS

IR

Vibrations