Geometry & MOs

Info

ID:	193249
PubChem CID:	78363746
Reduced:	BrFON5C15H17 (1)
Stoich.:	ABCD5E15F17 (1)
Weight, g/mol:	425.08627
ΔH_f, kcal/mol:	36.84
Dipole, Da:	6.83
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)CNC3NNNN3)F

DOS

IR

Vibrations