Geometry & MOs

Info

ID:	248939
PubChem CID:	103085661
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	269.185175
ΔH_f, kcal/mol:	34.23
Dipole, Da:	4.55
IP(EA), eV:	-9.13(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(1,4-dioxan-2-ylmethyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1CC2=CC(=CC=C2)OC

DOS

IR

Vibrations