Geometry & MOs

Info

ID:	84331
PubChem CID:	49865838
Reduced:	O4N5H31C34 (1)
Stoich.:	A4B5C31D34 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-16.99
Dipole, Da:	4.95
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)CCN[C@@H](CN5C=CN=C5)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations