Geometry & MOs

Info

ID:	374615
PubChem CID:	131342034
Reduced:	NF3C10H16 (1)
Stoich.:	AB3C10D16 (1)
Weight, g/mol:	227.055798
ΔH_f, kcal/mol:	-171.65
Dipole, Da:	2.81
IP(EA), eV:	-9.69(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-(trifluoromethyl)prop-2-enyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CCCCC1(C(=C)C(F)(F)F)N

DOS

IR

Vibrations