Geometry & MOs

Info

ID:	212297
PubChem CID:	81060062
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-60.11
Dipole, Da:	7.74
IP(EA), eV:	-9.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyano-2,6-dimethylpyridin-4-yl)morpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCCCC(=O)O

DOS

IR

Vibrations