Geometry & MOs

Info

ID:	404074
PubChem CID:	135064832
Reduced:	NO2H25C26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	246.138658
ΔH_f, kcal/mol:	-9.02
Dipole, Da:	3.07
IP(EA), eV:	-7.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S,6R)-4-chloro-6-cyclohexyloxan-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=CC=C1CN2C=CC3=CC=CC=C3C2C4=CC=CC=C4

DOS

IR

Vibrations