Geometry & MOs

Info

ID:	250724
PubChem CID:	103098588
Reduced:	BrF2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	262.04292
ΔH_f, kcal/mol:	-18.82
Dipole, Da:	2.31
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(3-methoxy-3-methylbutyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN2C(=NC(=N2)N)Br)F)F

DOS

IR

Vibrations