Geometry & MOs

Info

ID:	287311
PubChem CID:	104234357
Reduced:	OF3N3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	355.03833
ΔH_f, kcal/mol:	-129.76
Dipole, Da:	5.17
IP(EA), eV:	-9.24(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=NC=CN2C(F)F)F)NC

DOS

IR

Vibrations