Geometry & MOs

Info

ID:	143467
PubChem CID:	53213154
Reduced:	O2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	259.05124
ΔH_f, kcal/mol:	26.13
Dipole, Da:	5.83
IP(EA), eV:	-9.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-(4-ethylphenyl)-[1,2]oxazolo[5,4-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=NC(=O)C2=C(NOC2=N1)C3=CC=CC=C3C

DOS

IR

Vibrations