Geometry & MOs

Info

ID:	249771
PubChem CID:	103091974
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	247.098412
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	5.0
IP(EA), eV:	-8.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2O1)/C=C/C(C)NC)OC

DOS

IR

Vibrations