Geometry & MOs

Info

ID:	328339
PubChem CID:	126700745
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	218.040151
ΔH_f, kcal/mol:	7.12
Dipole, Da:	7.02
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-4-methylphenyl)-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC2=C3N1CCCOC3=CC(=C2)Br

DOS

IR

Vibrations