Geometry & MOs

Info

ID:	261066
PubChem CID:	103216085
Reduced:	ClINF2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	277.128963
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	4.3
IP(EA), eV:	-9.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C=C1)F)F)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations