Geometry & MOs

Info

ID:	248845
PubChem CID:	103084942
Reduced:	FN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	299.070451
ΔH_f, kcal/mol:	34.64
Dipole, Da:	4.85
IP(EA), eV:	-9.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2,3-dichlorophenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1C2=C(C=CC(=C2)F)C

DOS

IR

Vibrations