Geometry & MOs

Info

ID:	202086
PubChem CID:	79627027
Reduced:	NOC15H25 (1)
Stoich.:	ABC15D25 (1)
Weight, g/mol:	247.118399
ΔH_f, kcal/mol:	-52.5
Dipole, Da:	1.84
IP(EA), eV:	-8.48(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(C)(C)CNC(C)C

DOS

IR

Vibrations