Geometry & MOs

Info

ID:

440991

PubChem CID:

135232595

Reduced:

NO2H31C50 (1)

Stoich.:

AB2C31D50 (1)

Weight, g/mol:

454.034794

ΔHf, kcal/mol:

138.52

Dipole, Da:

4.07

IP(EA), eV:

 -8.36(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(2E)-2-[6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-1-oxonaphthalen-2-ylidene]hydrazinyl]phenyl] formate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3=C(C=C(C=C3)C4=C5C(=CC=C4)OC6=C(C5=O)C=CC(=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C21

DOS

IR

Vibrations