Geometry & MOs

Info

ID:	262035
PubChem CID:	103266942
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-60.65
Dipole, Da:	1.83
IP(EA), eV:	-9.09(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNC/C=C(\C)/C(=O)OC)C

DOS

IR

Vibrations