Geometry & MOs

Info

ID:	250713
PubChem CID:	103098530
Reduced:	BrFON4C10H10 (1)
Stoich.:	ABCD4E10F10 (1)
Weight, g/mol:	301.05382
ΔH_f, kcal/mol:	-16.63
Dipole, Da:	4.8
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N-cyclohexylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2C(=NC(=N2)N)Br)F

DOS

IR

Vibrations