Geometry & MOs

Info

ID:	248854
PubChem CID:	103084994
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	339.06947
ΔH_f, kcal/mol:	82.69
Dipole, Da:	9.38
IP(EA), eV:	-10.04(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations