Geometry & MOs

Info

ID:	299084
PubChem CID:	117670637
Reduced:	O2C17H19 (2)
Stoich.:	A2B17C19 (2)
Weight, g/mol:	162.113018
ΔH_f, kcal/mol:	-116.39
Dipole, Da:	2.85
IP(EA), eV:	-8.66(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethoxycarbonyloxymethyl(trimethyl)azanium

Drug info:

PubChemData

Smile

CCC(CC(CC(CC(C)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations