Geometry & MOs

Info

ID:	350880
PubChem CID:	127279168
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	6.17
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)CN(CC2=CC3=C(C=C2)OCO3)C4CCCCC4

DOS

IR

Vibrations