Geometry & MOs

Info

ID:	350892
PubChem CID:	127279180
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	1.72
Dipole, Da:	6.0
IP(EA), eV:	-8.79(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-methyltetrazol-5-yl)methyl]cyclohexanamine

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2CC2)CN(CC3=CC4=C(C=C3)OCO4)C5CCCCC5

DOS

IR

Vibrations