Geometry & MOs

Info

ID:	44402
PubChem CID:	10503385
Reduced:	ClON4H23C26 (1)
Stoich.:	ABC4D23E26 (1)
Weight, g/mol:	442.05282
ΔH_f, kcal/mol:	81.24
Dipole, Da:	2.62
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-[(E)-2-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol;bromide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N3C(=NN(C34CCCC4C1=O)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations