Geometry & MOs

Info

ID:	121338
PubChem CID:	50764162
Reduced:	N3O5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	475.210721
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	5.55
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-N-[4-methyl-3-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(C)C(=O)NC2=CC=C(C=C2)OCC3=CC(=O)N4C(=N3)C=C(O4)C

DOS

IR

Vibrations