Geometry & MOs

Info

ID:	404392
PubChem CID:	135066152
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	395.163377
ΔH_f, kcal/mol:	61.02
Dipole, Da:	2.58
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-methyl-4-[2-(4-methylphenyl)ethynyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CC2=C(N(C=N2)C)C(=O)NC3=CC=CC=C3C4=NCCO4

DOS

IR

Vibrations