Geometry & MOs

Info

ID:	424478
PubChem CID:	135122838
Reduced:	NOC6H8 (4)
Stoich.:	ABC6D8 (4)
Weight, g/mol:	444.251184
ΔH_f, kcal/mol:	-149.88
Dipole, Da:	8.44
IP(EA), eV:	-9.35(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2,4-diamino-5-[4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]anilino]anilino]phenol

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCOC(=O)C4=C(N=C(C=C4)C)C

DOS

IR

Vibrations