Geometry & MOs

Info

ID:	284050
PubChem CID:	104029889
Reduced:	BrFN5H11C14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	323.03817
ΔH_f, kcal/mol:	72.67
Dipole, Da:	7.36
IP(EA), eV:	-9.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-[1-(oxan-3-yl)tetrazol-5-yl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)N2C(=NN=N2)C3=C(C(=CC=C3)N)Br

DOS

IR

Vibrations