Geometry & MOs

Info

ID:	310376
PubChem CID:	126579448
Reduced:	BrN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	385.94876
ΔH_f, kcal/mol:	-9.08
Dipole, Da:	4.21
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-iodo-3-(trifluoromethoxy)phenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)C(=O)Br)COC2=NN(C=C2)O

DOS

IR

Vibrations