Geometry & MOs

Info

ID:	9108
PubChem CID:	86173
Reduced:	Cl2N3O3H17C19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	405.064697
ΔH_f, kcal/mol:	-37.65
Dipole, Da:	5.96
IP(EA), eV:	-9.34(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations