Geometry & MOs

Info

ID:	405225
PubChem CID:	135073063
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	345.0688
ΔH_f, kcal/mol:	-96.57
Dipole, Da:	4.02
IP(EA), eV:	-9.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-(5-bromo-4-cyano-4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N(CC2(CO2)C)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations