Geometry & MOs

Info

ID:	23539
PubChem CID:	604399
Reduced:	PCl2N4O4C13H15 (1)
Stoich.:	AB2C4D4E13F15 (1)
Weight, g/mol:	392.020797
ΔH_f, kcal/mol:	-144.43
Dipole, Da:	6.67
IP(EA), eV:	-9.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dichloro-2-methoxyphenyl)-(4-methyl-2-oxo-1,3,2lambda5-dioxaphospholan-2-yl)methyl]-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

CC1COP(=O)(O1)C(C2=C(C(=CC(=C2)Cl)Cl)OC)NN3C=NN=C3

DOS

IR

Vibrations