Geometry & MOs

Info

ID:	261022
PubChem CID:	103214622
Reduced:	ClINC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	293.140277
ΔH_f, kcal/mol:	42.39
Dipole, Da:	3.62
IP(EA), eV:	-9.23(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

Drug info:

PubChemData

Smile

CCNC(CCC1=CC=CC=C1)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations