Geometry & MOs

Info

ID:	283604
PubChem CID:	103992546
Reduced:	ClFNO2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	345.09396
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	3.37
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(5-bromo-2-propoxyphenyl)methylamino]propoxy]ethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)CNCCCOCCO

DOS

IR

Vibrations