Geometry & MOs

Info

ID:	349864
PubChem CID:	127276256
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	3.68
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)COC3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations