Geometry & MOs

Info

ID:	193248
PubChem CID:	78363745
Reduced:	BrCl2O2N5C17H20 (1)
Stoich.:	AB2C2D5E17F20 (1)
Weight, g/mol:	381.06005
ΔH_f, kcal/mol:	28.61
Dipole, Da:	1.24
IP(EA), eV:	-8.99(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CNC2NNNN2)Br)OCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations