Geometry & MOs

Info

ID:	201224
PubChem CID:	79508750
Reduced:	BrN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	285.96209
ΔH_f, kcal/mol:	21.32
Dipole, Da:	5.31
IP(EA), eV:	-8.33(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-chlorophenyl)-5-methyltriazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=NCCCC2)Br

DOS

IR

Vibrations