Geometry & MOs

Info

ID:	407632
PubChem CID:	135080381
Reduced:	BrC9H13 (1)
Stoich.:	AB9C13 (1)
Weight, g/mol:	216.076199
ΔH_f, kcal/mol:	42.87
Dipole, Da:	1.83
IP(EA), eV:	-10.17(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene

Drug info:

PubChemData

Smile

C=CCCCCC#CCBr

DOS

IR

Vibrations