Geometry & MOs

Info

ID:	28713
PubChem CID:	829108
Reduced:	FN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	257.063918
ΔH_f, kcal/mol:	-93.95
Dipole, Da:	5.63
IP(EA), eV:	-8.89(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-3,5-bis(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations