Geometry & MOs

Info

ID:	320924
PubChem CID:	126664255
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	306.292753
ΔH_f, kcal/mol:	-54.13
Dipole, Da:	7.59
IP(EA), eV:	-8.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl(dioctyl)azanium;hydrochloride

Drug info:

PubChemData

Smile

CC1=C2C(=NN1C)C=C(N=C2O[C@H](C)C3CNC(=O)O3)C4=CN(N=C4)C(C)(C)C

DOS

IR

Vibrations