Geometry & MOs

Info

ID:

329028

PubChem CID:

126730645

Reduced:

N4H42C55 (1)

Stoich.:

A4B42C55 (1)

Weight, g/mol:

488.171896

ΔHf, kcal/mol:

229.21

Dipole, Da:

1.84

IP(EA), eV:

 -7.75(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[2-[(4-anilino-6-chloro-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)amino]propyl]-6-chloro-4-N-phenyl-1,4-dihydro-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NC(=C2)C3=CC=C(C=C3)C4=CC(=C(C=C4)N5C6=C(C=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C95)C)C1=CC=CC=C1C

DOS

IR

Vibrations