Geometry & MOs

Info

ID:	361668
PubChem CID:	127304000
Reduced:	OSN7C17H25 (1)
Stoich.:	ABC7D17E25 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	54.1
Dipole, Da:	4.57
IP(EA), eV:	-8.68(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1SCC(=O)N2CCC(CC2)C3=NN=CN3C4CC4

DOS

IR

Vibrations