Geometry & MOs

Info

ID:	48515
PubChem CID:	10852282
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	307.264192
ΔH_f, kcal/mol:	-28.4
Dipole, Da:	3.29
IP(EA), eV:	-8.48(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylbutoxymethyl-dimethyl-octylazanium;chloride

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2CC3=C([C@]1(CCN2CCC=C)C)C=C(C=C3)O

DOS

IR

Vibrations