Geometry & MOs

Info

ID:	248986
PubChem CID:	103086047
Reduced:	BrON5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	355.06439
ΔH_f, kcal/mol:	60.35
Dipole, Da:	6.94
IP(EA), eV:	-9.36(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-bromo-2-methoxyphenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1C2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations