Geometry & MOs

Info

ID:	165516
PubChem CID:	74560374
Reduced:	Cl2N2O4C19H21 (1)
Stoich.:	A2B2C4D19E21 (1)
Weight, g/mol:	141.078979
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	1.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770602
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2,3,4,5-tetrahydropyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N(C1C2=C(C=C(C=C2)Cl)Cl)CCCN3CCOCC3)[O-]

DOS

IR

Vibrations