Geometry & MOs

Info

ID:	327089
PubChem CID:	126688976
Reduced:	IN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	5.77
IP(EA), eV:	-8.63(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl) 1,2,3,4-tetrahydropyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NCCC1=C(NC2=C1C=C(C=C2)NC(=O)O)I

DOS

IR

Vibrations