Geometry & MOs

Info

ID:	290384
PubChem CID:	104441283
Reduced:	BrON4C9H11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	256.028252
ΔH_f, kcal/mol:	54.26
Dipole, Da:	3.94
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,4-dichlorophenyl)triazol-1-yl]ethanamine

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)C2=CN(N=N2)CCCN

DOS

IR

Vibrations