Geometry & MOs

Info

ID:	197245
PubChem CID:	78941790
Reduced:	ClNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	293.045486
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	8.82
IP(EA), eV:	-9.69(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])Cl)O

DOS

IR

Vibrations