Geometry & MOs

Info

ID:	327576
PubChem CID:	126690400
Reduced:	IN2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	765.017521
ΔH_f, kcal/mol:	-2.39
Dipole, Da:	2.9
IP(EA), eV:	-8.49(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[(4-amino-5-sulfonaphthalen-1-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid

Drug info:

PubChemData

Smile

CCNCC1=C(C(=CC=C1)NCCCCCCCI)C

DOS

IR

Vibrations