Geometry & MOs

Info

ID:	206996
PubChem CID:	80329816
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	281.083413
ΔH_f, kcal/mol:	-156.19
Dipole, Da:	5.73
IP(EA), eV:	-9.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC)NCC1=CC(=CS1)C(=O)O

DOS

IR

Vibrations