Geometry & MOs

Info

ID:	287351
PubChem CID:	104238224
Reduced:	ClN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	339.98657
ΔH_f, kcal/mol:	-31.71
Dipole, Da:	4.19
IP(EA), eV:	-9.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-[(2-bromophenyl)methoxy]-3-chlorophenyl]ethanol

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCC2=NC=CN2C)Cl

DOS

IR

Vibrations