Geometry & MOs

Info

ID:	396179
PubChem CID:	135027619
Reduced:	ClN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	424.053715
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	3.59
IP(EA), eV:	-9.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4,6-dichloro-1,3,5-triazin-2-yl)-(4-methylphenyl)-diphenylphosphanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H]2[C@H]([C@H](N[C@H]2C(=O)OC)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations