Geometry & MOs

Info

ID:	272007
PubChem CID:	103716335
Reduced:	O2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-22.96
Dipole, Da:	4.6
IP(EA), eV:	-10.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=CC=C(C=C2)CNC(=O)N

DOS

IR

Vibrations