Geometry & MOs

Info

ID:	182707
PubChem CID:	76929488
Reduced:	OSN4C14H24 (1)
Stoich.:	ABC4D14E24 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-16.52
Dipole, Da:	6.06
IP(EA), eV:	-9.17(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(CCCCSC1NCCC(=O)N1)(C#N)NC2CC2

DOS

IR

Vibrations