Geometry & MOs

Info

ID:	350885
PubChem CID:	127279173
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-146.34
Dipole, Da:	1.8
IP(EA), eV:	-8.73(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCC(=O)N2CCOCC2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations