Geometry & MOs

Info

ID:	322041
PubChem CID:	126668388
Reduced:	N3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-50.46
Dipole, Da:	5.43
IP(EA), eV:	-8.54(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butan-2-ylphenyl)-5-oxo-[1,3]oxazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CN=C3N(C2=O)C=CO3

DOS

IR

Vibrations