Geometry & MOs

Info

ID:	227577
PubChem CID:	87562026
Reduced:	ClN3H16C22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	432.12407
ΔH_f, kcal/mol:	136.86
Dipole, Da:	4.61
IP(EA), eV:	-9.32(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=CC=C(C=C2)C3=NC4=C(N=C(C=C4)Cl)N=C3C5=CC=CC=C5

DOS

IR

Vibrations