Geometry & MOs

Info

ID:	261893
PubChem CID:	103257261
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	3.65
IP(EA), eV:	-8.82(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations