Geometry & MOs

Info

ID:	226836
PubChem CID:	87558567
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	208.131074
ΔH_f, kcal/mol:	11.06
Dipole, Da:	3.56
IP(EA), eV:	-9.5(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dihydroxybutoxy)pentane-2,2-diol

Drug info:

PubChemData

Smile

C/C=C(\C(N=C=O)(/C(=C\C)/C)C1=CC=CC=C1)/C

DOS

IR

Vibrations