Geometry & MOs

Info

ID:	250702
PubChem CID:	103098437
Reduced:	BrN5C6H12 (1)
Stoich.:	AB5C6D12 (1)
Weight, g/mol:	312.02219
ΔH_f, kcal/mol:	45.75
Dipole, Da:	4.33
IP(EA), eV:	-8.91(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CN(C)CCN1C(=NC(=N1)N)Br

DOS

IR

Vibrations