Geometry & MOs

Info

ID:	121222
PubChem CID:	50759101
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	0.21
Dipole, Da:	1.03
IP(EA), eV:	-8.45(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxo-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N2CCC3=C(C2C4=CC=C(C=C4)OC)NC5=CC=CC=C35

DOS

IR

Vibrations