Geometry & MOs

Info

ID:	365713
PubChem CID:	127318438
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	2.61
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CSC(=N2)NC(=O)C3CC4CCC3O4

DOS

IR

Vibrations