Geometry & MOs

Info

ID:	337330
PubChem CID:	127257012
Reduced:	FON4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	261.055656
ΔH_f, kcal/mol:	3.81
Dipole, Da:	2.33
IP(EA), eV:	-9.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-methylphenyl)methyl pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C(=O)NNNCC2=CC=C(C=C2)F

DOS

IR

Vibrations