Geometry & MOs

Info

ID:	285449
PubChem CID:	104105687
Reduced:	ClNOSC12H18 (1)
Stoich.:	ABCDE12F18 (1)
Weight, g/mol:	289.04775
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	3.1
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-3-fluorophenyl)methylamino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(CC(C)O)NC1CCC2=C1C=C(S2)Cl

DOS

IR

Vibrations