Geometry & MOs

Info

ID:	286159
PubChem CID:	104157502
Reduced:	ClNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	297.113171
ΔH_f, kcal/mol:	-136.0
Dipole, Da:	2.58
IP(EA), eV:	-9.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-ylmethyl 2-chloro-6-propylpyridine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations