Geometry & MOs

Info

ID:	206998
PubChem CID:	80330593
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-65.81
Dipole, Da:	5.45
IP(EA), eV:	-8.76(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCCC(C1)CNCC2=CC(=CS2)C(=O)O

DOS

IR

Vibrations