Geometry & MOs

Info

ID:	6175
PubChem CID:	67354
Reduced:	NOC12H19 (2)
Stoich.:	ABC12D19 (2)
Weight, g/mol:	386.293328
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	33.89
IP(EA), eV:	-6.42(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dodecyl-2-methylquinolin-1-ium-4-amine;acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C.CC(=O)[O-]

DOS

IR

Vibrations