Geometry & MOs

Info

ID:	404222
PubChem CID:	135065493
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	422.163043
ΔH_f, kcal/mol:	-11.65
Dipole, Da:	1.17
IP(EA), eV:	-8.57(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[2-(4-methylphenyl)ethynyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N(C2=CC=CC=C12)C3=NC=CC=N3)/C=C/C(=O)OC(C)(C)C

DOS

IR

Vibrations