Geometry & MOs

Info

ID:	350887
PubChem CID:	127279175
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-155.72
Dipole, Da:	3.36
IP(EA), eV:	-8.74(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)NC4CCOCC4

DOS

IR

Vibrations