Geometry & MOs

Info

ID:	197244
PubChem CID:	78940935
Reduced:	ClFNOC15H15 (1)
Stoich.:	ABCDE15F15 (1)
Weight, g/mol:	293.045486
ΔH_f, kcal/mol:	-60.45
Dipole, Da:	2.7
IP(EA), eV:	-8.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-(4-nitrophenoxy)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)N(C)C2=CC(=CC=C2)F)Cl)O

DOS

IR

Vibrations