Geometry & MOs

Info

ID:	248858
PubChem CID:	103085029
Reduced:	ClON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	41.26
Dipole, Da:	5.77
IP(EA), eV:	-9.13(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCCNC(C)C1=NN=NN1C2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations