Geometry & MOs

Info

ID:	327092
PubChem CID:	126688984
Reduced:	F3N5O6C39H44 (1)
Stoich.:	A3B5C6D39E44 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-333.58
Dipole, Da:	7.67
IP(EA), eV:	-9.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-trimethylphenyl) 2,3,4,5-tetrahydropyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(CN(C4CC4)C(=O)OC(C)(C)C)(C5=CC=CC=C5)O

DOS

IR

Vibrations