Geometry & MOs

Info

ID:	44239
PubChem CID:	10502126
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-62.29
Dipole, Da:	7.2
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methoxyphenyl)methoxy]-2-phenyl-3a-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)O/N=C/C(=O)O

DOS

IR

Vibrations