Geometry & MOs

Info

ID:	227749
PubChem CID:	87562378
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	516.181585
ΔH_f, kcal/mol:	28.52
Dipole, Da:	3.93
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-yl 2-chloro-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)NC1=CC(=CC(=N1)C2=CC=C(C=C2)C#CC3=CN=CC=C3)C(=O)NO

DOS

IR

Vibrations