Geometry & MOs

Info

ID:	25218
PubChem CID:	620976
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	258.07529
ΔH_f, kcal/mol:	-70.85
Dipole, Da:	2.38
IP(EA), eV:	-8.74(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylamino)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(=C1C(=O)C(N(C1=O)C)(C)C)NC2=CC=CC=C2N

DOS

IR

Vibrations