Geometry & MOs

Info

ID:	350882
PubChem CID:	127279170
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-137.38
Dipole, Da:	2.43
IP(EA), eV:	-8.7(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCNC(=O)C4

DOS

IR

Vibrations