Geometry & MOs

Info

ID:	261901
PubChem CID:	103258039
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	275.098
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	2.25
IP(EA), eV:	-9.09(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations