Geometry & MOs

Info

ID:	249094
PubChem CID:	103086787
Reduced:	O3N6C12H16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	351.06947
ΔH_f, kcal/mol:	52.34
Dipole, Da:	6.63
IP(EA), eV:	-9.5(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]tetrazol-5-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations