Geometry & MOs

Info

ID:	327103
PubChem CID:	126689003
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-109.78
Dipole, Da:	2.62
IP(EA), eV:	-9.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propan-2-ylphenyl) 2,3,4,5-tetrahydropyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=CN(C(=N4)C56CC7CC(C5)CC(C7)C6)C(=O)O

DOS

IR

Vibrations