Geometry & MOs

Info

ID:	383915
PubChem CID:	134975960
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	189.128427
ΔH_f, kcal/mol:	-85.95
Dipole, Da:	3.68
IP(EA), eV:	-9.25(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-3,7-dimethylocta-2,6-dienyl]azanium;chloride

Drug info:

PubChemData

Smile

CC1(OCCO1)C2(CC3=CC=CC=C32)O

DOS

IR

Vibrations