Geometry & MOs

Info

ID:	182555
PubChem CID:	76906026
Reduced:	O3N4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	2.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755546
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[(2-methoxyacetyl)-methylamino]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN1C(=O)C(C=[N+](C1=O)C)CNCC2=CC(=NC=C2)OC

DOS

IR

Vibrations