Geometry & MOs

Info

ID:	249088
PubChem CID:	103086744
Reduced:	BrON5C10H12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	227.17461
ΔH_f, kcal/mol:	60.06
Dipole, Da:	6.42
IP(EA), eV:	-9.87(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-(3-propoxypropyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC(=CC(=C2)Br)OC)N

DOS

IR

Vibrations