Geometry & MOs

Info

ID:	370617
PubChem CID:	127339767
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-24.16
Dipole, Da:	3.46
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CN3C=NC4=C(C=CC=C4C3=O)C

DOS

IR

Vibrations