Geometry & MOs

Info

ID:	275959
PubChem CID:	103819460
Reduced:	BrOF3N3H7C12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	295.00687
ΔH_f, kcal/mol:	-135.43
Dipole, Da:	3.22
IP(EA), eV:	-9.64(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)NC(=O)C2=CN=C(C=C2)C(F)(F)F

DOS

IR

Vibrations