Geometry & MOs

Info

ID:	183622
PubChem CID:	77045848
Reduced:	ON5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	248.073182
ΔH_f, kcal/mol:	58.9
Dipole, Da:	1.78
IP(EA), eV:	-9.94(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=NC=NN1)C(=O)C=CC2=CN=CC=C2

DOS

IR

Vibrations