Geometry & MOs

Info

ID:	379591
PubChem CID:	134448259
Reduced:	NO2H25C32 (1)
Stoich.:	AB2C25D32 (1)
Weight, g/mol:	256.99128
ΔH_f, kcal/mol:	32.31
Dipole, Da:	2.21
IP(EA), eV:	-8.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(iodoamino)cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)OC(=O)CCC5=CNC6=CC=CC=C65

DOS

IR

Vibrations