Geometry & MOs

Info

ID:	408061
PubChem CID:	135080816
Reduced:	NOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	244.083034
ΔH_f, kcal/mol:	-49.62
Dipole, Da:	3.74
IP(EA), eV:	-8.54(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(E)-1,1-difluorohept-2-en-3-yl]benzene

Drug info:

PubChemData

Smile

CCC1=CN2CC(CC(C2=C1)O)C

DOS

IR

Vibrations