Geometry & MOs

Info

ID:	27673
PubChem CID:	822944
Reduced:	FNO2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	311.098252
ΔH_f, kcal/mol:	-75.79
Dipole, Da:	2.49
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-difluoro-3-[1-(4-methylphenyl)tetrazol-5-yl]-1H-indole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)[C@H](CN2CCCC2)C3=CC=CC=C3)F

DOS

IR

Vibrations