Geometry & MOs

Info

ID:	446482
PubChem CID:	135275306
Reduced:	BrFNO4C26H27 (1)
Stoich.:	ABCD4E26F27 (1)
Weight, g/mol:	429.07397
ΔH_f, kcal/mol:	-165.24
Dipole, Da:	4.48
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-phenylmethoxyphenoxy)-1-(4-fluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](COC1=C(C=CC(=C1)OCC2=CC=CC=C2)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations