Geometry & MOs

Info

ID:	225545
PubChem CID:	85852846
Reduced:	FH9C10 (3)
Stoich.:	AB9C10 (3)
Weight, g/mol:	221.024356
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	2.21
IP(EA), eV:	-9.17(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2-(4-phenyl-1,3-dioxolan-2-ylidene)acetonitrile

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4=CC(=C(C=C4)CCC)F)F)F

DOS

IR

Vibrations