Geometry & MOs

Info

ID:	289559
PubChem CID:	104359490
Reduced:	BrClN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	299.97774
ΔH_f, kcal/mol:	64.33
Dipole, Da:	5.58
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-bromo-2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CN

DOS

IR

Vibrations