Geometry & MOs

Info

ID:	374619
PubChem CID:	131342038
Reduced:	OF3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	229.107834
ΔH_f, kcal/mol:	-185.49
Dipole, Da:	2.47
IP(EA), eV:	-10.24(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-3-(trifluoromethyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

C=C(C1=CCC(=O)CC1)C(F)(F)F

DOS

IR

Vibrations