Geometry & MOs

Info

ID:	285184
PubChem CID:	104098512
Reduced:	BrO2N5C10H10 (1)
Stoich.:	AB2C5D10E10 (1)
Weight, g/mol:	241.053051
ΔH_f, kcal/mol:	78.41
Dipole, Da:	3.83
IP(EA), eV:	-9.53(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-fluoro-N-[2-(triazol-1-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)NCCN2C=CN=N2)[N+](=O)[O-]

DOS

IR

Vibrations