Geometry & MOs

Info

ID:	426092
PubChem CID:	135137183
Reduced:	SC17H32 (1)
Stoich.:	AB17C32 (1)
Weight, g/mol:	195.025105
ΔH_f, kcal/mol:	-29.99
Dipole, Da:	1.95
IP(EA), eV:	-8.19(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-fluoro-3-[(E)-prop-1-enyl]benzonitrile

Drug info:

PubChemData

Smile

CCSC(C)(C)CC(C=CC)(C=CC)C(C)(C)C

DOS

IR

Vibrations