Geometry & MOs

Info

ID:	284463
PubChem CID:	104047556
Reduced:	FNO5H10C14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	307.061136
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	5.0
IP(EA), eV:	-10.03(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-(2-methyl-4-nitrophenoxy)phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)C(=O)O)F

DOS

IR

Vibrations