Geometry & MOs

Info

ID:	259724
PubChem CID:	103173071
Reduced:	NO3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-194.49
Dipole, Da:	6.97
IP(EA), eV:	-9.67(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-(1-methylpyrazol-3-yl)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2)OC

DOS

IR

Vibrations