Geometry & MOs

Info

ID:	139062
PubChem CID:	52467509
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	286.93641
ΔH_f, kcal/mol:	47.47
Dipole, Da:	5.36
IP(EA), eV:	-9.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NON=C1NC(=O)C2(CC2)C3=CC=CC=C3

DOS

IR

Vibrations