Geometry & MOs

Info

ID:	191676
PubChem CID:	78176191
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	179.069477
ΔH_f, kcal/mol:	-26.73
Dipole, Da:	4.75
IP(EA), eV:	-9.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-7aH-[1,3]oxazolo[5,4-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(NC(=O)C(N2)C(=O)N)C3=CC=CC=C3

DOS

IR

Vibrations