Geometry & MOs

Info

ID:	857
PubChem CID:	3444
Reduced:	BrOCl2N3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	374.95408
ΔH_f, kcal/mol:	11.62
Dipole, Da:	5.34
IP(EA), eV:	-9.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations