Geometry & MOs

Info

ID:	261397
PubChem CID:	103230697
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-40.63
Dipole, Da:	5.36
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-methoxypyridin-3-yl)amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NCC2=CC(=NO2)C(=O)O

DOS

IR

Vibrations