Geometry & MOs

Info

ID:	132293
PubChem CID:	51337757
Reduced:	N3O3H17C21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	226.074228
ΔH_f, kcal/mol:	-17.7
Dipole, Da:	0.99
IP(EA), eV:	-9.15(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynylphenyl)-3-methyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C#CC1=CC(=CC=C1)NC(=O)CN2C(=O)C3(CCC4=CC=CC=C43)NC2=O

DOS

IR

Vibrations