Geometry & MOs

Info

ID:	197216
PubChem CID:	78938635
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	327.006513
ΔH_f, kcal/mol:	-55.58
Dipole, Da:	6.78
IP(EA), eV:	-9.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(2,5-dichlorophenoxy)-3-nitrophenyl]ethanol

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OC2=C(C=C(C=C2)[C@H](C)O)[N+](=O)[O-]

DOS

IR

Vibrations