Geometry & MOs

Info

ID:	413714
PubChem CID:	135086664
Reduced:	ClN2O4H23C27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	233.139134
ΔH_f, kcal/mol:	-68.22
Dipole, Da:	3.15
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-12,12,12-trifluorododec-9-enenitrile

Drug info:

PubChemData

Smile

CC(CCC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)Cl)O)C(=O)C3=NC=CN3C4=CC=CC=C4

DOS

IR

Vibrations