Geometry & MOs

Info

ID:	445007
PubChem CID:	135264256
Reduced:	O2N6C18H25 (1)
Stoich.:	A2B6C18D25 (1)
Weight, g/mol:	357.240285
ΔH_f, kcal/mol:	12.56
Dipole, Da:	1.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.234635
Charge, e:	1

Chem-info

IUPAC name:

4-[2-[(3-methoxy-4-pyrrolidin-1-ylphenyl)diazenyl]-3-methylimidazol-3-ium-1-yl]butan-1-amine

Drug info:

PubChemData

Smile

C[N+]1=C(N(C=C1)CCCCN)N=NC2=CC3=C4C(=C2)OCCN4CCO3

DOS

IR

Vibrations