Geometry & MOs

Info

ID:	351573
PubChem CID:	127280465
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-59.85
Dipole, Da:	6.54
IP(EA), eV:	-9.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C(C)C)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations