Geometry & MOs

Info

ID:	286158
PubChem CID:	104157501
Reduced:	ClNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	311.128821
ΔH_f, kcal/mol:	-129.92
Dipole, Da:	2.75
IP(EA), eV:	-9.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-ylmethyl 2-tert-butyl-6-chloropyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)OCC2CCOCC2)Cl

DOS

IR

Vibrations