Geometry & MOs

Info

ID:	444297
PubChem CID:	135261976
Reduced:	ClNO2F3C15H15 (1)
Stoich.:	ABC2D3E15F15 (1)
Weight, g/mol:	200.066029
ΔH_f, kcal/mol:	-228.56
Dipole, Da:	5.8
IP(EA), eV:	-9.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene

Drug info:

PubChemData

Smile

C1CC2CCNC(C3=C2C(=C(C=C3)Cl)C1)OC(=O)C(F)(F)F

DOS

IR

Vibrations