Geometry & MOs

Info

ID:	150461
PubChem CID:	53790151
Reduced:	ON5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	355.085432
ΔH_f, kcal/mol:	70.29
Dipole, Da:	6.63
IP(EA), eV:	-8.71(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]ethyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CN(C)CCN1C=CC2=C1C=CC(=C2)C3=NC(=NO3)N

DOS

IR

Vibrations