Geometry & MOs

Info

ID:	27663
PubChem CID:	822911
Reduced:	ClNO2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	293.107674
ΔH_f, kcal/mol:	-58.65
Dipole, Da:	1.28
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-fluorophenyl)tetrazol-5-yl]-5-methyl-1H-indole

Drug info:

PubChemData

Smile

C1C=C(C[C@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC=C3)Cl

DOS

IR

Vibrations