Geometry & MOs

Info

ID:	349844
PubChem CID:	127276236
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-112.16
Dipole, Da:	7.05
IP(EA), eV:	-8.65(1.12)
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)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)C3CCC(=O)NC3

DOS

IR

Vibrations