Geometry & MOs

Info

ID:	219028
PubChem CID:	85090387
Reduced:	INO4C24H48 (1)
Stoich.:	ABC4D24E48 (1)
Weight, g/mol:	414.358334
ΔH_f, kcal/mol:	-244.04
Dipole, Da:	14.68
IP(EA), eV:	-7.28(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[5-[3-hydroxy-4-[5-(1-hydroxypropan-2-yl)oxolan-2-yl]pentan-2-yl]oxolan-2-yl]pentan-2-yl-trimethylazanium

Drug info:

PubChemData

Smile

CCCC(CC1CCC(O1)C(C)C(C(C)C2CCC(O2)C(C)CO)O)[N+](C)(C)C.[I-]

DOS

IR

Vibrations