Geometry & MOs

Info

ID:	429792
PubChem CID:	135169844
Reduced:	OSI2N3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	240.99631
ΔH_f, kcal/mol:	64.76
Dipole, Da:	3.55
IP(EA), eV:	-9.35(-2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-(1,5-dihydrotriazol-2-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

CN(CC=C)C(=O)C1=CC2=C(N=C1)N(C=C2I)SI

DOS

IR

Vibrations