Geometry & MOs

Info

ID:

233088

PubChem CID:

87692399

Reduced:

N5Cl6O11H51C52 (1)

Stoich.:

A5B6C11D51E52 (1)

Weight, g/mol:

467.86174

ΔHf, kcal/mol:

-412.87

Dipole, Da:

15.46

IP(EA), eV:

 -8.48(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-N-(1-chloroethyl)aniline

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1)COC2=C(C=C(C=C2Cl)C(=O)NCC(=O)O)Cl)C.CC1=CC(=CC(=C1)N)COC2=C(C=C(C=C2Cl)CC(=O)O)Cl.CC1=CC(=CC(=C1)N)COC2=C(C=C(C=C2Cl)C(=O)NCC(=O)O)Cl

DOS

IR

Vibrations