Geometry & MOs

Info

ID:	286162
PubChem CID:	104157510
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-113.78
Dipole, Da:	2.16
IP(EA), eV:	-10.06(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropylmethyl 2-chloro-6-propan-2-ylpyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)OC2CCOC2)Cl

DOS

IR

Vibrations