Geometry & MOs

Info

ID:	379897
PubChem CID:	134964067
Reduced:	C17H26 (1)
Stoich.:	A17B26 (1)
Weight, g/mol:	211.071882
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	0.7
IP(EA), eV:	-9.19(0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z,3R)-1-ethoxy-3-(furan-2-yl)-1,3-dihydroxyprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C)C(C)(C)C2=CC=CC=C2

DOS

IR

Vibrations