Geometry & MOs

Info

ID:	248974
PubChem CID:	103085963
Reduced:	ClO2N5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	263.154624
ΔH_f, kcal/mol:	9.2
Dipole, Da:	7.88
IP(EA), eV:	-9.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=C(C=CC(=C2)OC)Cl)NCCOC

DOS

IR

Vibrations