Geometry & MOs

Info

ID:	285278
PubChem CID:	104098924
Reduced:	BrON4C9H11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	207.123243
ΔH_f, kcal/mol:	57.08
Dipole, Da:	3.74
IP(EA), eV:	-9.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methyltriazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=COC(=C1Br)CNCCN2C=CN=N2

DOS

IR

Vibrations