Geometry & MOs

Info

ID:	202453
PubChem CID:	79673992
Reduced:	NSO3C6H13 (1)
Stoich.:	ABC3D6E13 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	2.05
IP(EA), eV:	-10.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1R)-1-aminoethyl]phenyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H](CO)NS(=O)(=O)CC=C

DOS

IR

Vibrations