Geometry & MOs

Info

ID:	372515
PubChem CID:	131299077
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	240.068097
ΔH_f, kcal/mol:	-42.42
Dipole, Da:	7.92
IP(EA), eV:	-8.4(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]thieno[2,3-d]triazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(N1)C(=CC=C2)N)C(=O)N

DOS

IR

Vibrations