Geometry & MOs

Info

ID:	197271
PubChem CID:	78945707
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-26.4
Dipole, Da:	3.81
IP(EA), eV:	-8.75(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-methoxyphenyl)propanoyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2CC3=CC=CC=C3S2)C#N

DOS

IR

Vibrations