Geometry & MOs

Info

ID:	21941
PubChem CID:	593987
Reduced:	FN5H14C16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	295.123324
ΔH_f, kcal/mol:	86.73
Dipole, Da:	7.94
IP(EA), eV:	-8.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-2-methylaniline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC=CC2=NN=NN2C3=CC=C(C=C3)F

DOS

IR

Vibrations