Geometry & MOs

Info

ID:	248995
PubChem CID:	103086105
Reduced:	N5C14H21 (1)
Stoich.:	A5B14C21 (1)
Weight, g/mol:	249.138974
ΔH_f, kcal/mol:	77.6
Dipole, Da:	5.94
IP(EA), eV:	-9.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(4-fluorophenyl)propan-2-yl]tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(CCN1C(=NN=N1)C(C)NC)C2=CC=CC=C2

DOS

IR

Vibrations