Geometry & MOs

Info

ID:	198898
PubChem CID:	79169556
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-89.01
Dipole, Da:	8.36
IP(EA), eV:	-9.65(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-6-methylpyridin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCC(=O)NCC#N)C=CC(=O)O

DOS

IR

Vibrations