Geometry & MOs

Info

ID:	49014
PubChem CID:	11528615
Reduced:	NC15H21 (1)
Stoich.:	AB15C21 (1)
Weight, g/mol:	216.076199
ΔH_f, kcal/mol:	4.28
Dipole, Da:	3.04
IP(EA), eV:	-8.26(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-(1,1,1-trifluorobut-3-en-2-yl)benzene

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/NC2CCCCC2

DOS

IR

Vibrations