Geometry & MOs

Info

ID:	248843
PubChem CID:	103084909
Reduced:	IN5C10H12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	116.89
Dipole, Da:	6.02
IP(EA), eV:	-9.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=C(C=C2)I)NC

DOS

IR

Vibrations