Geometry & MOs

Info

ID:	54418
PubChem CID:	17154667
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	397.06888
ΔH_f, kcal/mol:	-51.88
Dipole, Da:	6.02
IP(EA), eV:	-8.99(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations