Geometry & MOs

Info

ID:	249726
PubChem CID:	103091655
Reduced:	N3C10H17 (1)
Stoich.:	A3B10C17 (1)
Weight, g/mol:	247.098412
ΔH_f, kcal/mol:	21.23
Dipole, Da:	4.66
IP(EA), eV:	-8.89(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=NC=C1/C=C(/C)\C(C)N

DOS

IR

Vibrations