Geometry & MOs

Info

ID:	182031
PubChem CID:	76831286
Reduced:	O3N4F5H19C20 (1)
Stoich.:	A3B4C5D19E20 (1)
Weight, g/mol:	376.196234
ΔH_f, kcal/mol:	-281.99
Dipole, Da:	5.34
IP(EA), eV:	-9.57(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1(C(COCC(=N1)N)(F)F)C2=C(C=CC(=C2)CC(=O)C3=CN=C(C=N3)OCC(F)F)F

DOS

IR

Vibrations