Geometry & MOs

Info

ID:

298136

PubChem CID:

117647686

Reduced:

N11C35H43 (1)

Stoich.:

A11B35C43 (1)

Weight, g/mol:

617.37029

ΔHf, kcal/mol:

208.8

Dipole, Da:

2.6

IP(EA), eV:

 -8.67(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[3-[2-(1-aminoethenylamino)ethyl]-5-[2-[3-[2-[3,5-bis[2-(diaminomethylideneamino)ethyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethyl]guanidine

Drug info:

PubChemData

Smile

CC(=NCCC1=C(C=C(C=C1)C#CC2=CC(=CC=C2)C#CC3=CC(=C(C=C3)CCN=C(N)N)CCN=C(N)N)CCN=C(N)N)N

DOS

IR

Vibrations