Geometry & MOs

Info

ID:	197158
PubChem CID:	78929851
Reduced:	F3N4H11C12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	287.168543
ΔH_f, kcal/mol:	-103.94
Dipole, Da:	3.16
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=NC=NC(=C2)N)C(F)(F)F

DOS

IR

Vibrations