Geometry & MOs

Info

ID:	317969
PubChem CID:	126648022
Reduced:	O2N3C27H33 (1)
Stoich.:	A2B3C27D33 (1)
Weight, g/mol:	280.017018
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	4.22
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-(2,6-dichloropyridin-3-yl)phenyl]methanimidate

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C=C)\C1=NC=C2CN(CCC2=N1)C(=O)OC(C)(C)C)/CCC3=CC=CC=C3

DOS

IR

Vibrations