Geometry & MOs

Info

ID:	367802
PubChem CID:	127325899
Reduced:	OSN3C7H9 (2)
Stoich.:	ABC3D7E9 (2)
Weight, g/mol:	390.251858
ΔH_f, kcal/mol:	22.24
Dipole, Da:	5.8
IP(EA), eV:	-10.02(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[methyl(7-oxabicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]cyclohexyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCC(CC1)NC(=O)C2=CN=NS2)C(=O)C3=CN=NS3

DOS

IR

Vibrations