Geometry & MOs

Info

ID:	125882
PubChem CID:	50941918
Reduced:	BrN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	362.074994
ΔH_f, kcal/mol:	24.36
Dipole, Da:	3.22
IP(EA), eV:	-7.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-7-(2H-tetrazol-5-yl)thieno[3,2-c]quinolin-4-amine

Drug info:

PubChemData

Smile

CCC[N+]1=CN(C=C1)C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations