Geometry & MOs

Info

ID:	424990
PubChem CID:	135124733
Reduced:	BrO2F3N5H15C18 (1)
Stoich.:	AB2C3D5E15F18 (1)
Weight, g/mol:	142.045236
ΔH_f, kcal/mol:	-97.99
Dipole, Da:	3.07
IP(EA), eV:	-9.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetaldehyde;2-methylthiophene

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Br)C3CC3C4=CN(N=N4)CC(F)(F)F

DOS

IR

Vibrations