Geometry & MOs

Info

ID:	372368
PubChem CID:	131296617
Reduced:	ClON3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-1.07
Dipole, Da:	4.78
IP(EA), eV:	-9.18(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-methylthieno[3,4-d]imidazole-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=C2N1CCC(C2)(C#N)O)Cl

DOS

IR

Vibrations