Geometry & MOs

Info

ID:	355694
PubChem CID:	127289675
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-106.51
Dipole, Da:	4.3
IP(EA), eV:	-8.73(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations