Geometry & MOs

Info

ID:	399116
PubChem CID:	135037912
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	-47.45
Dipole, Da:	2.36
IP(EA), eV:	-9.59(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyanilino)octane-1,7-diol

Drug info:

PubChemData

Smile

C[C@@H](C1[C@@H]2CCC[C@](O2)(O1)C)O

DOS

IR

Vibrations