Geometry & MOs

Info

ID:	218299
PubChem CID:	85089145
Reduced:	N4O5H20C24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	445.19803
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	8.26
IP(EA), eV:	-9.75(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-dodecylpyridin-1-ium-2-yl)ethenyl]phenol;bromide

Drug info:

PubChemData

Smile

CN(C)C(=O)CC1=CC2=NC(=O)C3=C(C=C(C=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC)N=C2C=C1

DOS

IR

Vibrations