Geometry & MOs

Info

ID:	323238
PubChem CID:	126673756
Reduced:	NOH4C5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	343.03202
ΔH_f, kcal/mol:	-20.69
Dipole, Da:	0.75
IP(EA), eV:	-10.02(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=NC=NC=C2C=C1

DOS

IR

Vibrations