Geometry & MOs

Info

ID:	11584
PubChem CID:	118011
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	21.53
Dipole, Da:	5.36
IP(EA), eV:	-9.42(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylphenyl)-2-(prop-2-ynylamino)-1,3-oxazol-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C(=O)N=C(O2)NCC#C

DOS

IR

Vibrations