Geometry & MOs

Info

ID:	248834
PubChem CID:	103084823
Reduced:	BrON5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	58.08
Dipole, Da:	4.54
IP(EA), eV:	-9.95(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=C(C=C2)Br)NCCOC

DOS

IR

Vibrations