Geometry & MOs

Info

ID:	271967
PubChem CID:	103707299
Reduced:	BrFON2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	297.98655
ΔH_f, kcal/mol:	-47.26
Dipole, Da:	1.71
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1=CC(=C(C=C1)F)Br)C2CC2

DOS

IR

Vibrations