Geometry & MOs

Info

ID:	228143
PubChem CID:	87563523
Reduced:	ClNOF3H5C8 (1)
Stoich.:	ABCD3E5F8 (1)
Weight, g/mol:	160.109944
ΔH_f, kcal/mol:	-165.39
Dipole, Da:	7.85
IP(EA), eV:	-9.2(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-one;formaldehyde;propan-2-one

Drug info:

PubChemData

Smile

C1=C/C(=C(\N)/Cl)/C(=O)C=C1C(F)(F)F

DOS

IR

Vibrations