Geometry & MOs

Info

ID:	261487
PubChem CID:	103235863
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-121.17
Dipole, Da:	2.4
IP(EA), eV:	-8.41(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(pyridin-2-ylmethylamino)methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NCCOCC(=O)OCC

DOS

IR

Vibrations