Geometry & MOs

Info

ID:	11585
PubChem CID:	118012
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	22.08
Dipole, Da:	5.29
IP(EA), eV:	-9.61(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N=C(O1)NCC#C)C2=CC=CC=C2

DOS

IR

Vibrations