Geometry & MOs

Info

ID:	162079
PubChem CID:	57393534
Reduced:	O2N7C27H27 (1)
Stoich.:	A2B7C27D27 (1)
Weight, g/mol:	344.972626
ΔH_f, kcal/mol:	53.9
Dipole, Da:	8.06
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC#CCN1C2=C(C(=C1N3CCC[C@@H](C3)N)C#N)N(C(=O)N(C2=O)CC4=NC=CC5=CC=CC=C54)C

DOS

IR

Vibrations