Geometry & MOs

Info

ID:	121337
PubChem CID:	50764116
Reduced:	N3O4H25C27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	433.163771
ΔH_f, kcal/mol:	-72.46
Dipole, Da:	3.45
IP(EA), eV:	-8.25(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N(C(=O)C1CC3=CC=CC=C3)CC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations