Geometry & MOs

Info

ID:	46301
PubChem CID:	10523794
Reduced:	BrNO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	380.07495
ΔH_f, kcal/mol:	-112.22
Dipole, Da:	3.27
IP(EA), eV:	-9.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,2-trimethyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;iodide

Drug info:

PubChemData

Smile

CC(=CC[C@@]12CC(=O)O[C@@H]1N(C3=C2C=CC(=C3)Br)C(=O)OC)C

DOS

IR

Vibrations