Geometry & MOs

Info

ID:	42393
PubChem CID:	8149507
Reduced:	NF2O3H15C22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	337.191603
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	4.35
IP(EA), eV:	-8.88(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,7-dimethylquinolin-1-ium-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations