Geometry & MOs

Info

ID:	148028
PubChem CID:	53787690
Reduced:	O3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	366.277497
ΔH_f, kcal/mol:	-224.73
Dipole, Da:	0.66
IP(EA), eV:	-10.59(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6-chloro-1-hydroxyhexyl)-bis(1-hydroxyhexyl)-methylazanium

Drug info:

PubChemData

Smile

CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C(=C)C

DOS

IR

Vibrations