Geometry & MOs

Info

ID:	184487
PubChem CID:	77168266
Reduced:	BrCl2N2O2H21C24 (1)
Stoich.:	AB2C2D2E21F24 (1)
Weight, g/mol:	530.204194
ΔH_f, kcal/mol:	-46.14
Dipole, Da:	4.22
IP(EA), eV:	-9.22(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-[3-[[4-(tetrazolidin-5-yl)phenyl]methoxy]phenyl]-7-(trifluoromethyl)indazole

Drug info:

PubChemData

Smile

CC(=O)NC1CC(OC2=C1C=C(C(=N2)C3=C(C=C(C=C3)Br)Cl)C4=CC=C(C=C4)Cl)(C)C

DOS

IR

Vibrations