Geometry & MOs

Info

ID:	263893
PubChem CID:	103405167
Reduced:	NO3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	213.001513
ΔH_f, kcal/mol:	-152.08
Dipole, Da:	1.74
IP(EA), eV:	-9.09(1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-methyl-N-prop-2-ynylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCCOCCCOC1(CCCC1)CN

DOS

IR

Vibrations