Geometry & MOs

Info

ID:	360378
PubChem CID:	127301023
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-43.49
Dipole, Da:	8.25
IP(EA), eV:	-9.4(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations