Geometry & MOs

Info

ID:	45489
PubChem CID:	10514113
Reduced:	C9H11 (2)
Stoich.:	A9B11 (2)
Weight, g/mol:	237.98541
ΔH_f, kcal/mol:	26.93
Dipole, Da:	0.61
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

CCCC[C@@H]1C[C@H]1CC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations