Geometry & MOs

Info

ID:	182576
PubChem CID:	76908676
Reduced:	N2S2O3H12C13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-25.27
Dipole, Da:	6.59
IP(EA), eV:	-9.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CSC2=NN=CS2)C=CC(=O)O

DOS

IR

Vibrations