Geometry & MOs

Info

ID:	286163
PubChem CID:	104157511
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	3.96
IP(EA), eV:	-9.94(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-yl 2-chloro-6-propan-2-ylpyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)OCC2CC2)Cl

DOS

IR

Vibrations