Geometry & MOs

Info

ID:	243659
PubChem CID:	99233733
Reduced:	BrN2O4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	479.222035
ΔH_f, kcal/mol:	-194.18
Dipole, Da:	5.93
IP(EA), eV:	-8.81(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)CCC2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations