Geometry & MOs

Info

ID:	244068
PubChem CID:	99309601
Reduced:	O3N5C24H35 (1)
Stoich.:	A3B5C24D35 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	5.24
IP(EA), eV:	-8.34(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-3-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCC[C@@H](C2)C(=O)NCCC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations