Geometry & MOs

Info

ID:	233089
PubChem CID:	87692400
Reduced:	N4Cl7H9C13 (1)
Stoich.:	A4B7C9D13 (1)
Weight, g/mol:	467.86174
ΔH_f, kcal/mol:	28.12
Dipole, Da:	6.14
IP(EA), eV:	-9.27(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(NC1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)Cl

DOS

IR

Vibrations