Geometry & MOs

Info

ID:	347160
PubChem CID:	127271701
Reduced:	FON6C18H25 (1)
Stoich.:	ABC6D18E25 (1)
Weight, g/mol:	389.135111
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	4.63
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)N2CCN(CC2)C)NC(=O)C(C)N3C=NC=N3

DOS

IR

Vibrations