Geometry & MOs

Info

ID:	401037
PubChem CID:	135049872
Reduced:	ClC6F10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	299.071306
ΔH_f, kcal/mol:	-963.51
Dipole, Da:	0.32
IP(EA), eV:	-12.17(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[chloro(phenyl)methyl]-3-(4-methoxyphenyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C(#CC(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations